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14895-17-1 | 2H-Pyran-2-one, 5-benzoyl-4-hydroxy-6-methyl-
CAS No: 14895-17-1 Catalog No: AG001LAW MDL No:
Product Description
Catalog Number:
AG001LAW
Chemical Name:
2H-Pyran-2-one, 5-benzoyl-4-hydroxy-6-methyl-
CAS Number:
14895-17-1
Molecular Formula:
C13H10O4
Molecular Weight:
230.2161
IUPAC Name:
5-benzoyl-4-hydroxy-6-methylpyran-2-one
InChI:
InChI=1S/C13H10O4/c1-8-12(10(14)7-11(15)17-8)13(16)9-5-3-2-4-6-9/h2-7,14H,1H3
InChI Key:
LIOIIIXZXWHEJK-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c(c(o1)C)C(=O)c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.058g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.219g/mol
Monoisotopic Mass:
230.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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