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75062-45-2 | 4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-phenyl-
CAS No: 75062-45-2 Catalog No: AG005ELN MDL No:
Product Description
Catalog Number:
AG005ELN
Chemical Name:
4H-Pyran-4-one, 2-benzoyl-3-hydroxy-6-phenyl-
CAS Number:
75062-45-2
Molecular Formula:
C18H12O4
Molecular Weight:
292.2855
IUPAC Name:
2-benzoyl-3-hydroxy-6-phenylpyran-4-one
InChI:
InChI=1S/C18H12O4/c19-14-11-15(12-7-3-1-4-8-12)22-18(17(14)21)16(20)13-9-5-2-6-10-13/h1-11,21H
InChI Key:
NDEWUDRYMKVIBB-UHFFFAOYSA-N
SMILES:
O=C(c1oc(cc(=O)c1O)c1ccccc1)c1ccccc1
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.29g/mol
Monoisotopic Mass:
292.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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