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CAS Number: 38628-51-2
4-(2-carboxyethyl)benzoic acid

Structure

 4-(2-carboxyethyl)benzoic acid
Name: 4-(2-carboxyethyl)benzoic acid
Synonyms:
General Information
Product Number: 38628512

CAS Registry Number 38628-51-2
Name:
Benzenepropanoic acid, 4-?carboxy-
Hydrocinnamic acid, p-carboxy- (6CI)
3-(4-Carboxyphenyl)propanoic acid
3-(4-Carboxyphenyl)propionic acid
3-(p-Carboxyphenyl)propionic acid
4-(2-Carboxyethyl)benzoic acid

 

Chemical Formula: C10H10O4
Exact Mass: 194.06
Molecular Weight: 194.18
m/z: 194.06 (100.0%), 195.06 (11.1%), 196.06 (1.3%)

 

InChI:InChI=1S/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)

InChI Key:QSPCOYVUYYFWAU-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CCC(=O)O)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 307-308 °C   (3)CAS
Melting Point 286-291 °C Solv: acetic acid (64-19-7) (4)CAS
Melting Point 284-285 °C   (5)CAS
Melting Point 284 °C Solv: water (7732-18-5) (6)CAS

Specification

98%
References
  1. (3) Nesmeyanov, A. N.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1960, P1969-73 CAPLUS
  2. (4) Emerson, Wm. S.; Journal of the American Chemical Society 1950, V72, P5152-4 CAPLUS
  3. (5) Ahmad, M. S.; Journal of the Chemical Society 1961, P2520-3 CAPLUS
  4. (6) Baddeley, G.; Journal of the Chemical Society 1956, P4647-53 CAPLUS
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