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CAS Number: 2732-18-5
5,7-dihydroxy-2H-chromen-2-one

Structure

 5,7-dihydroxy-2H-chromen-2-one
Name: 5,7-dihydroxy-2H-chromen-2-one
Synonyms:
General Information
Product Number: 2732185

CAS Registry Number 2732-18-5
Name:
2H-?1-?Benzopyran-?2-?one, 5,?7-?dihydroxy-
Coumarin, 5,7-dihydroxy- (6CI,7CI,8CI)
5,7-Dihydroxy-2H-1-benzopyran-2-one
5,7-Dihydroxy-2H-chromen-2-one
5,7-Dihydroxycoumarin
NSC 108415

 

Chemical Formula: C9H6O4
Exact Mass: 178.03
Molecular Weight: 178.14
m/z: 178.03 (100.0%), 179.03 (10.0%), 180.03 (1.3%)

 

InChI:InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H

InChI Key:KIQQFVJHWNCGAU-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=O)OC2=CC(=CC(=C21)O)O

 

Thermal Properties Value Condition Note
Melting Point 280 °C   (7)CAS
Melting Point 280 °C   (8)CAS
Melting Point 275-278 °C Solv: ethyl acetate (141-78-6); hexane (110-54-3) (5)CAS
Melting Point 274-275 °C   (4)CAS
Melting Point 270-272 °C Solv: water (7732-18-5) (3)CAS

Specification

98%
References
  1. (3) Trost, Barry M.; Journal of the American Chemical Society 2003, V125(15), P4518-4526 CAPLUS
  2. (4) Chang, Chia-Fu; Tetrahedron 2008, V64(17), P3661-3666 CAPLUS
  3. (5) Kutubi, Md. Shahajahan; Synthesis 2011, (8), P1283-1289 CAPLUS
  4. (6) Sun, Jingyun; Zhongguo Zhongyao Zazhi 2002, V27(5), P366-367 CAPLUS
  5. (7) Wulff, Heike; Journal of Medicinal Chemistry 1998, V41(23), P4542-4549 CAPLUS
  6. (8) Kaufman, Kurt D.; Journal of Heterocyclic Chemistry 1965, V2(1), P91-2 CAPLUS
  7. (9) Kalyanam, N.; Synthetic Communications 2004, V34(10), P1909-1914 CAPLUS
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