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87888-39-9 | 2H-Pyran-2-one, 3-acetyl-6-methyl-4-(phenylmethoxy)-
CAS No: 87888-39-9 Catalog No: AG004FX4 MDL No:
Product Description
Catalog Number:
AG004FX4
Chemical Name:
2H-Pyran-2-one, 3-acetyl-6-methyl-4-(phenylmethoxy)-
CAS Number:
87888-39-9
Molecular Formula:
C15H14O4
Molecular Weight:
258.2693
IUPAC Name:
3-acetyl-6-methyl-4-phenylmethoxypyran-2-one
InChI:
InChI=1S/C15H14O4/c1-10-8-13(14(11(2)16)15(17)19-10)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChI Key:
HHFULORDENXSRR-UHFFFAOYSA-N
SMILES:
Cc1cc(OCc2ccccc2)c(c(=O)o1)C(=O)C
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.273g/mol
Monoisotopic Mass:
258.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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