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10037-16-8 | 4H-Pyran-4-one, 3-benzoyl-2-methyl-6-phenyl-
CAS No: 10037-16-8 Catalog No: AG0001QY MDL No:
Product Description
Catalog Number:
AG0001QY
Chemical Name:
4H-Pyran-4-one, 3-benzoyl-2-methyl-6-phenyl-
CAS Number:
10037-16-8
Molecular Formula:
C19H14O3
Molecular Weight:
290.3127
IUPAC Name:
3-benzoyl-2-methyl-6-phenylpyran-4-one
InChI:
InChI=1S/C19H14O3/c1-13-18(19(21)15-10-6-3-7-11-15)16(20)12-17(22-13)14-8-4-2-5-9-14/h2-12H,1H3
InChI Key:
IDAOALJTNZUCAB-UHFFFAOYSA-N
SMILES:
Cc1oc(cc(=O)c1C(=O)c1ccccc1)c1ccccc1
NSC Number:
137597
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.318g/mol
Monoisotopic Mass:
290.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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