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29643-77-4 | 2H-Pyran-2-one, 3,4-dihydro-4-methyl-6-phenyl-
CAS No: 29643-77-4 Catalog No: AG002YZE MDL No:
Product Description
Catalog Number:
AG002YZE
Chemical Name:
2H-Pyran-2-one, 3,4-dihydro-4-methyl-6-phenyl-
CAS Number:
29643-77-4
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
4-methyl-6-phenyl-3,4-dihydropyran-2-one
InChI:
InChI=1S/C12H12O2/c1-9-7-11(14-12(13)8-9)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChI Key:
NNMNLMVEQKZYQZ-UHFFFAOYSA-N
SMILES:
CC1C=C(OC(=O)C1)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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