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10037-18-0 | 4H-Pyran-4-one, 3-acetyl-2-methyl-6-phenyl-
CAS No: 10037-18-0 Catalog No: AG0001QX MDL No:
Product Description
Catalog Number:
AG0001QX
Chemical Name:
4H-Pyran-4-one, 3-acetyl-2-methyl-6-phenyl-
CAS Number:
10037-18-0
Molecular Formula:
C14H12O3
Molecular Weight:
228.2433
IUPAC Name:
3-acetyl-2-methyl-6-phenylpyran-4-one
InChI:
InChI=1S/C14H12O3/c1-9(15)14-10(2)17-13(8-12(14)16)11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
HUKAEPJWKUXUBO-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(C)oc(cc1=O)c1ccccc1
NSC Number:
80265
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.247g/mol
Monoisotopic Mass:
228.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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