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CAS Number: 2084-13-1
3-(carboxymethyl)benzoic acid

Structure

3-(carboxymethyl)benzoic acid
Name: 3-(carboxymethyl)benzoic acid
Synonyms:
General Information
Product Number: 2084131

CAS Registry Number 2084-13-1
Name:
Benzeneacetic acid, 3-​carboxy-
m-Toluic acid, α-carboxy- (6CI,7CI,8CI)
3-Carboxymethylbenzoic acid
3-Carboxyphenylacetic acid
Homoisophthalic acid
Isohomophthalic acid

 

Chemical Formula: C9H8O4
Exact Mass: 180.04
Molecular Weight: 180.16
m/z: 180.04 (100.0%), 181.05 (10.0%), 182.05 (1.3%)

 

InChI:InChI=1S/C9H8O4/c10-8(11)5-6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,10,11)(H,12,13)

InChI Key:QNUWEXSGZVBMDV-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 185 °C   (1)CAS
Melting Point 184-185 °C   (2)CAS
Melting Point 161-161.5 °C   (3)CAS

Specification

98%

References
  1. (1) Komppa, Gust.; Annalen der Chemie, Justus Liebigs 1936, V521, P242-61 CAPLUS
  2. (2) Ipatieff, V. N.; Journal of Organic Chemistry 1952, V17, P272-85 CAPLUS
  3. (3) Miescher, K.; Biochemical Journal 1938, V32, P725-32 CAPLUS
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