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128910-89-4 | 2H-1-Benzopyran-2-one, 6-acetyl-4-methyl-3-phenyl-
CAS No: 128910-89-4 Catalog No: AG000YIW MDL No:
Product Description
Catalog Number:
AG000YIW
Chemical Name:
2H-1-Benzopyran-2-one, 6-acetyl-4-methyl-3-phenyl-
CAS Number:
128910-89-4
Molecular Formula:
C18H14O3
Molecular Weight:
278.3020
IUPAC Name:
6-acetyl-4-methyl-3-phenylchromen-2-one
InChI:
InChI=1S/C18H14O3/c1-11-15-10-14(12(2)19)8-9-16(15)21-18(20)17(11)13-6-4-3-5-7-13/h3-10H,1-2H3
InChI Key:
QJCTUXPCTNLMFM-UHFFFAOYSA-N
SMILES:
O=c1oc2ccc(cc2c(c1c1ccccc1)C)C(=O)C
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.307g/mol
Monoisotopic Mass:
278.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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