3-Cyanothiophene-2-carboxylic acid

CAS

58231-00-8

Catalog Number

ACM58231008

Category

Other Products

Molecular Weight

153.16

Molecular Formula

C₆H₃NO₂S

MSDS COA Spec Sheet

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Specification

Synonyms

3-CYANOTHIOPHENE-2-CARBOXYLIC ACID

IUPAC Name

3-cyanothiophene-2-carboxylic acid

Canonical SMILES

C1=CSC(=C1C#N)C(=O)O

InChI Key

AHKYFPXBUQSQAK-UHFFFAOYSA-N

Boiling Point

367.664ºC at 760 mmHg

Flash Point

176.157ºC

Density

1.517 g/cm³

Exact Mass

152.98800

H-Bond Acceptor

H-Bond Donor

Upstream Synthesis Route 1

67808-31-5

58231-00-8

Reference: [1]Kaizerman, Jacob A.; Gross, Matthew I.; Ge, Yigong; White, Sarah; Hu, Wenhao; Duan, Jian-Xin; Baird, Eldon E.; Johnson, Kirk W.; Tanaka, Richard D.; Moser, Heinz E.; Bürli, Roland W.
[Journal of Medicinal Chemistry, 2003, vol. 46, # 18, p. 3914 - 3929]

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