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CAS Number: 115822-57-6
chroman-3-carboxylic acid

Structure

 chroman-3-carboxylic acid
Name: chroman-3-carboxylic acid
Synonyms:
General Information
Product Number: 115822576

CAS Registry Number 115822-57-6
Name:
2H-?1-?Benzopyran-?3-?carboxylic acid, 3,?4-?dihydro-
3,4-Dihydro-2H-1-benzopyran-3-carboxylic acid
Chroman-3-carboxylic 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/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-4,8H,5-6H2,(H,11,12)

InChI Key:GZMGJJFSKQM-UHFFFAOYSA-N

Canonical SMILES:C1C(COC2=CC=CC=C21)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 128 °C   (1)IC

Specification

98%
References
  1. (1) Mouysset, Genevieve; European Journal of Medicinal Chemistry 1987, V22(6), P539-44 CAPLUS
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