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CAS 4391-99-5
Also known as: 4391-99-5, Chembl298963, 5-formyl-3,4-dimethyl-pyrrole-2-carboxylic acid ethyl ester, Dtxsid001217745, Zinc3132843, Bdbm50486981
Molecular Formula
C10H13NO3
Molecular Weight
195.21  g/mol
InChI Key
JOTQAIVFNWNMHR-UHFFFAOYSA-N

1 2D Structure

CAS 4391-99-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate
2.1.2 InChI
InChI=1S/C10H13NO3/c1-4-14-10(13)9-7(3)6(2)8(5-12)11-9/h5,11H,4H2,1-3H3
2.1.3 InChI Key
JOTQAIVFNWNMHR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=C(C(=C(N1)C=O)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4391-99-5

2. Chembl298963

3. 5-formyl-3,4-dimethyl-pyrrole-2-carboxylic Acid Ethyl Ester

4. Dtxsid001217745

5. Zinc3132843

6. Bdbm50486981

7. Mfcd00230939

8. Akos022505745

9. Ethyl 3,4-dimethyl-5-formyl-(1h)-pyrrole-2-carboxylate

10. Ethyl 5-formyl-3,4-dimethyl-1h-pyrrole-2-carboxylate #

11. 1h-pyrrole-2-carboxylic Acid, 5-formyl-3,4-dimethyl-, Ethyl Ester

12. 3,4-dimethyl-5-formyl-1h-pyrrole-2-carboxylic Acid Ethyl Ester

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 195.21 g/mol
Molecular Formula C10H13NO3
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass195.08954328 g/mol
Monoisotopic Mass195.08954328 g/mol
Topological Polar Surface Area59.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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Sunitinib
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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