CAS Registry Number: 66885-68-5

Name:

2-​Propenoic acid, 3-​(4-​formylphenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(4-​formylphenyl)​-​, (E)​-; (2E)​-​3-​(4-​Formylphenyl)​-​2-​propenoic acid; (E)​-​3-​(4-​Formylphenyl)​-​2-​propenoic acid; (E)​-​4-​Formylcinnamic acid; p-​Formyl-​(E)​-​cinnamic acid; trans-​3-​(4-​Formylphenyl)​-​2-​propenoic acid; trans-​4-​Formylcinnamic acid; trans-​p-​Formylcinnamic acid 

Chemical Formula: C10H8O3
Exact Mass: 176.05
Molecular Weight: 176.17
m/z: 176.05 (100.0%), 177.05 (11.0%), 178.05 (1.2%)
Elemental Analysis: C, 68.18; H, 4.58; O, 27.25

InChI: InChI=1S/C10H8O3/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-7H,(H,12,13)
InChIKey: LBOUHDMYVURTMA-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1C=CC(=O)O)C=O

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) Meejoo, Siwaporn; Helvetica Chimica Acta 2003, V86(5), P1467-1477 CAPLUS
3. (3) Busse, G.; Faraday Discussions 2002, V122(Time-Resolved Chemistry: From Structure to Function, 2003), P105-117 CAPLUS
4. (4) Wang, Yao; Journal of Organic Chemistry 2009, V74(5), P1923-1931 CAPLUS