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CAS Number: 80096-64-6
6-hydroxychroman-4-one

Structure

 6-hydroxychroman-4-one
Name: 6-hydroxychroman-4-one
Synonyms:
General Information
Product Number: 80096646

CAS Registry Number 80096-64-6
Name:
4H-?1-?Benzopyran-?4-?one, 2,?3-?dihydro-?6-?hydroxy-
4-Chromanone, 6-hydroxy- (7CI)
4-Oxochroman-6-ol
6-Hydroxy-4-chromanone

 

Chemical Formula: C9H8O3
Exact Mass: 164.05
Molecular Weight: 164.16
m/z: 164.05 (100.0%), 165.05 (9.9%), 166.05 (1.0%)

 

InChI:InChI=1S/C9H8O3/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,10H,3-4H2

InChI Key:HTKPIKIGEYFNBY-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C(C1=O)C=C(C=C2)O

 

Thermal Properties Value Condition Note
Melting Point 129-131 °C Solv: benzene (71-43-2); ligroine (8032-32-4) (2)IC

Specification

98%
References

(2) Glennon, Richard A.; Journal of Medicinal Chemistry 1982, V25(4), P393-7 CAPLUS
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