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CAS 124750-59-0
Also known as: 124750-59-0, 2-propyl-1h-imidazole-4,5-dicarboxylic acid dimethyl ester, 1h-imidazole-4,5-dicarboxylic acid, 2-propyl-, dimethyl ester, Schembl784, Dtxsid80570231, 1h-imidazole-4,5-dicarboxylic acid, 2-propyl-, 4,5-dimethyl ester
Molecular Formula
C10H14N2O4
Molecular Weight
226.23  g/mol
InChI Key
FGBHVVBYDOTMMD-UHFFFAOYSA-N

1 2D Structure

CAS 124750-59-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dimethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
2.1.2 InChI
InChI=1S/C10H14N2O4/c1-4-5-6-11-7(9(13)15-2)8(12-6)10(14)16-3/h4-5H2,1-3H3,(H,11,12)
2.1.3 InChI Key
FGBHVVBYDOTMMD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC1=NC(=C(N1)C(=O)OC)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 124750-59-0

2. 2-propyl-1h-imidazole-4,5-dicarboxylic Acid Dimethyl Ester

3. 1h-imidazole-4,5-dicarboxylic Acid, 2-propyl-, Dimethyl Ester

4. Schembl784

5. Dtxsid80570231

6. 1h-imidazole-4,5-dicarboxylic Acid, 2-propyl-, 4,5-dimethyl Ester

7. Mfcd09743546

8. Zinc21297655

9. Akos015914937

10. 2-n-propyl-4,5-dicarbomethoxyimidazole

11. 4,5-dicarbomethoxy-2-n-propylimidazole

12. As-71868

13. 2-propyl-4,5-bis(methoxycarbonyl)-imidazole

14. Cs-0152408

15. Ft-0657730

16. E76022

17. 750p590

18. A805290

19. J-520360

20. 2-propyl-1h-imidazole-4,5-dicarboxylicaciddimethylester

21. 1h-imidazole-4,5-dicarboxylic Acid,2-propyl-,dimethyl Ester

22. 4,5-dimethyl 2-propyl-1h-imidazole-4,5-dicarboxylate

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 226.23 g/mol
Molecular Formula C10H14N2O4
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass226.09535693 g/mol
Monoisotopic Mass226.09535693 g/mol
Topological Polar Surface Area81.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
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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144689-93-0
Olmesartan Medoxomil
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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Olmesartan Medoxomil
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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Olmesartan Medoxomil
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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