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CAS Number: 71989-93-0
2,4,6-trihydroxybenzoic acid hydrate

Structure

 2,4,6-trihydroxybenzoic acid hydrate
Name: 2,4,6-trihydroxybenzoic acid hydrate
Synonyms:
General Information
Product Number: 71989930

CAS Registry Number 71989-93-0
(Component: 83-30-7)
Name:
Benzoic acid, 2,?4,?6-?trihydroxy-?, hydrate (1:1)
Benzoic acid, 2,4,6-trihydroxy-, monohydrate (9CI)
2,4,6-Trihydroxybenzoic acid monohydrate

 

Chemical Formula: C7H8O6
Exact Mass: 188.03
Molecular Weight: 188.13
m/z: 188.03 (100.0%), 189.04 (7.9%), 190.04 (1.5%)

 

InChI:InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2

InChI Key:HWZIRFCGHAROOI-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1O)C(=O)O)O)O.O

 

Thermal Properties Value Condition Note
Melting Point 177-178 °C   (2)CAS

Specification

98%
References
  1. (2) Henry, Kevin M.; Journal of the American Chemical Society 2005, V127(10), P3300-3309 CAPLUS
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