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Home > Other Building Blocks > 89595-65-3
89595-65-3 | 4H-1-Benzopyran-4-one, 7,8-bis(acetyloxy)-3-phenyl-
CAS No: 89595-65-3 Catalog No: AG003YUD MDL No:
Product Description
Catalog Number:
AG003YUD
Chemical Name:
4H-1-Benzopyran-4-one, 7,8-bis(acetyloxy)-3-phenyl-
CAS Number:
89595-65-3
Molecular Formula:
C19H14O6
Molecular Weight:
338.3109
IUPAC Name:
(8-acetyloxy-4-oxo-3-phenylchromen-7-yl) acetate
InChI:
InChI=1S/C19H14O6/c1-11(20)24-16-9-8-14-17(22)15(13-6-4-3-5-7-13)10-23-18(14)19(16)25-12(2)21/h3-10H,1-2H3
InChI Key:
FYCOBEVVJBCKMR-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1c(ccc2c1occ(c2=O)c1ccccc1)OC(=O)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.079g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.315g/mol
Monoisotopic Mass:
338.079g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Specificities of acetoxy derivatives of coumarins, biscoumarins, chromones, flavones, isoflavones and xanthones for acetoxy drug: protein transacetylase. | European journal of medicinal chemistry 20070401 |
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