CAS Registry Number: 614-60-8

Name:

2-​Propenoic acid, 3-​(2-​hydroxyphenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(2-​hydroxyphenyl)​-​, (E)​-; Cinnamic acid, o-​hydroxy-​, (E)​- (8CI); (E)​-​2-​Hydroxycinnamic acid; (E)​-​3-​(2-​Hydroxyphenyl)​acrylic acid; (E)​-​o-​Hydroxycinnamic acid; NSC 32952; o-​Hydroxy-​trans-​cinnamic acid; trans-​2-​Hydroxycinnamic acid; trans-​o-​Coumaric acid; trans-​o-​Hydroxycinnamic acid

Chemical Formula: C9H8O3
Exact Mass: 164.05
Molecular Weight: 164.16
m/z: 164.05 (100.0%), 165.05 (9.9%), 166.05 (1.0%)
Elemental Analysis: C, 65.85; H, 4.91; O, 29.24

InChI: InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
InChIKey: PMOWTIHVNWZYFI-AATRIKPKSA-N
Canonical SMILES : C1=CC=C(C(=C1)C=CC(=O)O)O
Isomeric SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)O

Specification

98%

(1) Chimichi, Stefano; Heterocycles 1983, V20(2), P263-7 CAPLUS