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CAS Number: 898252-77-2
7-hydroxythiochroman-4-one

Structure

 7-hydroxythiochroman-4-one
Name: 7-hydroxythiochroman-4-one
Synonyms:
General Information
Product Number: 898252772

CAS Registry Number 898252-77-2
Name:
4H-?1-?Benzothiopyran-?4-?one, 2,?3-?dihydro-?7-?hydroxy-
7-Hydroxy-2,3-dihydro-4H-thiochromen-4-one

 

Chemical Formula: C9H8O2S
Exact Mass: 180.02
Molecular Weight: 180.22
m/z: 180.02 (100.0%), 181.03 (9.9%), 182.02 (4.5%)

 

InChI:InChI=1S/C9H8O2S/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,10H,3-4H2

InChI Key:YPQOXBRFKZRNLD-UHFFFAOYSA-N

Canonical SMILES:C1CSC2=C(C1=O)C=CC(=C2)O

Specification

98%
References

PCT Int. Appl. (2011), WO 2011083264 A1 20110714. 

PCT Int. Appl. (2010), WO 2010064707 A1 20100610.                                 
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