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88952-72-1 | 4H-1-Benzopyran-4-one, 2-(3-methoxyphenyl)-6-methyl-
CAS No: 88952-72-1 Catalog No: AG0047TW MDL No:
Product Description
Catalog Number:
AG0047TW
Chemical Name:
4H-1-Benzopyran-4-one, 2-(3-methoxyphenyl)-6-methyl-
CAS Number:
88952-72-1
Molecular Formula:
C17H14O3
Molecular Weight:
266.2913
IUPAC Name:
2-(3-methoxyphenyl)-6-methylchromen-4-one
InChI:
InChI=1S/C17H14O3/c1-11-6-7-16-14(8-11)15(18)10-17(20-16)12-4-3-5-13(9-12)19-2/h3-10H,1-2H3
InChI Key:
GPLWNAUILJELBH-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(=O)c2c(o1)ccc(c2)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.296g/mol
Monoisotopic Mass:
266.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. | Journal of medicinal chemistry 20020912 |
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