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CAS Number: 79418-41-0
3-amino-7-hydroxy-2H-chromen-2-one

Structure

 3-amino-7-hydroxy-2H-chromen-2-one
Name: 3-amino-7-hydroxy-2H-chromen-2-one
Synonyms:
General Information
Product Number: 79418410

CAS Registry Number 79418-41-0
Name:
2H-​1-​Benzopyran-​2-​one, 3-​amino-​7-​hydroxy-
Umbelliferone, 3-amino- (6CI)
3-Amino-7-hydroxycoumarin

 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

 

InChI:InChI=1S/C9H7NO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H,10H2

InChI Key:RQFHTIQNYJDJAH-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1O)OC(=O)C(=C2)N

 

Thermal Properties Value Condition Note
Melting Point >260 °C   (5)CAS
Melting Point 237-238 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (4)CAS
Melting Point 227 °C Solv: ethanol (64-17-5) (6)CAS

Specification

98%
References
  1. (4) Kudale, Amit A.; Tetrahedron Letters 2007, V48(29), P5077-5080 CAPLUS
  2. (5) Mahajani, P. B.; Journal of the Indian Chemical Society 1956, V33, P455-8 CAPLUS
  3. (6) Soman, S. S.; Chemistry of Heterocyclic Compounds (New York, NY, United States) 2011, V46(12), P1514-1519 CAPLUS
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