CAS 94956-98-6

Chemistry, 2 End Use API, 2 Related Intermediates

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Also known as: 94956-98-6, Benzaldehyde, 3-methoxy-2-(2-propenyl)-, 3-methoxy-2-prop-2-enylbenzaldehyde, Schembl4984877, Dtxsid80457194, Amy27753

Molecular Formula

C₁₁H₁₂O₂

Molecular Weight

176.21 g/mol

InChI Key

OQOUDZFBMYRNCD-UHFFFAOYSA-N

1 2D Structure

CAS 94956-98-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methoxy-2-prop-2-enylbenzaldehyde

2.1.2 InChI

InChI=1S/C11H12O2/c1-3-5-10-9(8-12)6-4-7-11(10)13-2/h3-4,6-8H,1,5H2,2H3

2.1.3 InChI Key

OQOUDZFBMYRNCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC(=C1CC=C)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 94956-98-6

2. Benzaldehyde, 3-methoxy-2-(2-propenyl)-

3. 3-methoxy-2-prop-2-enylbenzaldehyde

4. Schembl4984877

5. Dtxsid80457194

6. Amy27753

7. Zinc38312375

8. Ac-30206

9. Db-089745

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₂O₂
Molecular Weight	176.21 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	176.083729621 g/mol
Monoisotopic Mass	176.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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2-allyl-3-hydroxy-benzaldehyde

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CAS Number

79950-42-8

End Use API

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this exp...

Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this experience to provide both companies & individuals with immersible quality products. In addition, we ensure that we stay ahead of the industry curve by using the latest technologies. Rest assured that no matter what you need, you can rely on us to provide the absolute best. Mr. Manish Jatia, the founder has been in the industry for over 40 years who has build companies, products catering to the world market. He has been a foundation for Unique Labs, Hermes Labs & has partnerships with Omshri Labs to cater to the market of Human & Vet. API.

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Descarboxymethyl treprostinil

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CAS Number

101692-02-8

End Use API

Treprostinil Sodium

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LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core...

LinkChem is a leading China headquartered CMO | CRO provider within the pharmaceutical industry. Our core focus includes: custom synthesis, process development, and manufacturing of key intermediates,API,amino acid and peptides. At LinkChem we support the virtually integrated pharma company with unparralled expertise throughout the entire product lifecycle. We collaborate with both Pharmaceutical and Generic companies from drug development to commercialization.

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