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CAS Number: 51939-71-0
chroman-2-carboxylic acid

Structure

chroman-2-carboxylic acid
Name: chroman-2-carboxylic acid
Synonyms:
General Information
Product Number: 51939710

CAS Registry Number 51939-71-0
Name:
2H-​1-​Benzopyran-​2-​carboxylic acid, 3,​4-​dihydro-
2-Chromancarboxylic acid (6CI)
(±)-2-Chromancarboxylic acid
3,4-Dihydro-1-benzopyran-2-carboxylic acid
3,4-Dihydro-2H-1-benzopyran-2-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)9-6-5-7-3-1-2-4-8(7)13-9/h1-4,9H,5-6H2,(H,11,12)

InChI Key:SFLFCQJQOIZMHF-UHFFFAOYSA-N

Canonical SMILES:C1CC2=CC=CC=C2OC1C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 98.5-100 °C Solv: ligroine (8032-32-4) (3)CAS
Melting Point 96-98 °C   (2)CAS

Specification

98%

References
  1. (2) Kwak, Jae-Hwan; Archives of Pharmacal Research 2008, V31(2), P133-141 CAPLUS
  2. (3) Baddeley, G.; Journal of the Chemical Society 1958, P2797-9 CAPLUS
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