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15958-02-8 | 2(5H)-Furanone, 5,5-dimethyl-4-phenyl-
CAS No: 15958-02-8 Catalog No: AG001R6U MDL No:
Product Description
Catalog Number:
AG001R6U
Chemical Name:
2(5H)-Furanone, 5,5-dimethyl-4-phenyl-
CAS Number:
15958-02-8
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
5,5-dimethyl-4-phenylfuran-2-one
InChI:
InChI=1S/C12H12O2/c1-12(2)10(8-11(13)14-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
XLKJCJZGQVIICV-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(O1)(C)C)c1ccccc1
Properties
Complexity:
270
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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