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14004-56-9 | 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-
CAS No: 14004-56-9 Catalog No: AG001BYH MDL No:
Product Description
Catalog Number:
AG001BYH
Chemical Name:
4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-
CAS Number:
14004-56-9
Molecular Formula:
C18H16O4
Molecular Weight:
296.3172
IUPAC Name:
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenylchromen-4-one
InChI:
InChI=1S/C18H16O4/c1-10-16(20)15-13(19)9-14(12-7-5-4-6-8-12)22-18(15)11(2)17(10)21-3/h4-9,20H,1-3H3
InChI Key:
PQZXFPBMXPGZMO-UHFFFAOYSA-N
SMILES:
COc1c(C)c2oc(cc(=O)c2c(c1C)O)c1ccccc1
NSC Number:
641479
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.322g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Anti-AIDS agents 54. A potent anti-HIV chalcone and flavonoids from genus Desmos. | Bioorganic & medicinal chemistry letters 20030519 |
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