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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LinkChem

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Treprostinil Sodium

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CAS Number

94956-98-6

Intermediate Name

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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Ocimum Labs

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India

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Treprostinil Sodium

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CAS Number

94956-98-6

Intermediate Name

2-allyl-3-methoxybenzaldehyde

About the Company

Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderaba...

Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emphasis on choosing an API portfolio with a wide range of applications for the global pharma market. It provides a wide variety of integrated products and services. By offering timely and high-quality support, Ocimum Labs hopes to become a strategic partner to global pharma firms and deliver high-quality, cost effective key starting materials, intermediates and APIs. It intends to build a manufacturing facility with a 230KL capacity in Visakhapatnam, India.

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