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CAS Number: 27326-43-8
2-vinylbenzoic acid

Structure

2-vinylbenzoic acid
Name: 2-vinylbenzoic acid
Synonyms:
General Information
Product Number: 27326438
CAS Registry Number: 27326-43-8
Name:
        Benzoic acid, 2-​ethenyl-
        Benzoic acid, o-​vinyl- (7CI,​8CI); 2-​Vinylbenzoic acid; o-​Vinylbenzoic acid 
 
Chemical Formula: C9H8O2
Exact Mass: 148.05
Molecular Weight: 148.16
m/z: 148.05 (100.0%), 149.06 (9.9%)
Elemental Analysis: C, 72.96; H, 5.44; O, 21.60
 
InChI: InChI=1S/C9H8O2/c1-2-7-5-3-4-6-8(7)9(10)11/h2-6H,1H2,(H,10,11)
InChIKey: XUDBVJCTLZTSDC-UHFFFAOYSA-N
Canonical SMILES : C=CC1=CC=CC=C1C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 95.5 °C Solv: water (7732-18-5) (2)CAS
Melting Point 94-95 °C   (4)CAS
Melting Point 92-94 °C Solv: ligroine (8032-32-4) (5)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Mejia-Oneto, Jose M.; Organic Letters 2004, V6(19), P3241-3244 CAPLUS
  2. (2) Matos, Marie-Christine; Journal of Organic Chemistry 2007, V72(5), P1803-1806 CAPLUS
  3. (3) Le Quement, Sebastian T.; Journal of Combinatorial Chemistry 2007, V9(6), P1060-1072 CAPLUS
  4. (4) Dale, Wesley J.; Journal of Organic Chemistry 1961, V26, P2225-7 CAPLUS
  5. (5) Berti, Giancarlo; Annali di Chimica (Rome, Italy) 1959, V49, P1994-2010 CAPLUS
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