3-(1-Cyanoethyl)benzoic acid[3-(1-氰乙基)苯甲酸]

5537-71-3

CAS Name

3-(1-Cyanoethyl)benzoic acid

Molecular Formula

C₁₀H₉NO₂

Molecular Mass

175.18

Compound Properties

• Melting Point (1)

  140-141 °C

Source(s)

• (1) Xia, Hui-Min; Angewandte Chemie, International Edition, (2018), 57(36), 11770-11775, CAplus

Other Names and Identifiers

InChI

InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)

InChIKey

InChIKey=IRYIYPWRXROPSX-UHFFFAOYSA-N

SMILES

C(C#N)(C)C1=CC(C(O)=O)=CC=C1

Canonical SMILES

N#CC(C=1C=CC=C(C1)C(=O)O)C

Other Names for this Substance