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CAS Number: 776-79-4
2-(2-carboxyethyl)benzoic acid

Structure

2-(2-carboxyethyl)benzoic acid
Name: 2-(2-carboxyethyl)benzoic acid
Synonyms:
General Information
Product Number: 776794

CAS Registry Number 776-79-4
Name:
Benzenepropanoic acid, 2-​carboxy-
Hydrocinnamic acid, o-carboxy- (6CI,7CI,8CI)
2-(2-Carboxyethyl)benzoic acid
2-Carboxybenzenepropanoic acid
2-Carboxyhydrocinnamic acid
NSC 16637

 

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)6-5-7-3-1-2-4-8(7)10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)

InChI Key:VEEXBQLWMFMATJ-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 202-205 °C   (3)CAS
Melting Point 167-169 °C   (2)CAS
Melting Point 167-168 °C   (4)CAS
Melting Point 167-168 °C Solv: water (7732-18-5) (5)CAS
Melting Point 167 °C   (6)CAS
Melting Point 166.5-168 °C Solv: water (7732-18-5) (7)CAS

Specification

98%

References
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