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CAS Number: 17570-26-2
(E)-3-(3-methoxyphenyl)acrylic acid

Structure

(E)-3-(3-methoxyphenyl)acrylic acid
Name: (E)-3-(3-methoxyphenyl)acrylic acid
Synonyms:
General Information
Product Number: 17570262

CAS Registry Number: 17570-26-2

Name:

2-​Propenoic acid, 3-​(3-​methoxyphenyl)​-​, (2E)​-
2-​Propenoic acid, 3-​(3-​methoxyphenyl)​-​, (E)​-; Cinnamic acid, m-​methoxy-​, (E)​- (8CI); (2E)​-​3-​(3-​Methoxyphenyl)​-​2-​propenoic acid; (E)​-​3-​(3-​Methoxyphenyl)​-​2-​propenoic acid; (E)​-​3-​(3-​Methoxyphenyl)​acrylic acid; (E)​-​3-​Methoxycinnamic acid; (E)​-​m-​Methoxycinnamic acid; trans-​3-​(3-​Methoxyphenyl)​-​2-​propenoic acid; trans-​3-​Methoxycinnamic acid; trans-​m-​Methoxycinnamic acid 

 

Chemical Formula: C10H10O3
Exact Mass: 178.06
Molecular Weight: 178.18
m/z: 178.06 (100.0%), 179.07 (11.0%), 180.07 (1.2%)

 

InChI: InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+
InChIKey: LZPNXAULYJPXEH-AATRIKPKSA-N
Canonical SMILES : COC1=CC=CC(=C1)C=CC(=O)O
Isomeric SMILES: COC1=CC=CC(=C1)/C=C/C(=O)O

 

Thermal Properties Value Condition Note
Enthalpy See full text   (4)CAS
Formation Enthalpy See full text   (4)CAS
Melting Point 118-119 °C   (2)IC
Melting Point 117-119 °C Solv: ethyl ether (60-29-7) (3)CAS
Melting Point 116-119 °C   (7)IC
Melting Point 115-117 °C   (8)CAS
Melting Point 115-117 °C Solv: methanol (67-56-1) (5)IC

 

Specification

98%

References
  1. (1) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  2. (2) Collins, David J.; Australian Journal of Chemistry 1979, V32(5), P1093-106 CAPLUS
  3. (3) Pardin, Christophe; Journal of Organic Chemistry 2008, V73(15), P5766-5775 CAPLUS
  4. (4) Matos, M. A. R.; Journal of Chemical Thermodynamics 2002, V34(4), P499-509 CAPLUS
  5. (5) Horaguchi, Takaaki; Journal of Heterocyclic Chemistry 1989, V26(2), P365-9 CAPLUS
  6. (6) Komban, Rajesh; Crystal Growth & Design 2011, V11(4), P1033-1039 CAPLUS
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  9. (9) Pattabiraman, Mahesh; Organic Letters 2005, V7(4), P529-532 CAPLUS
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