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119590-52-2 | 2(5H)-Furanone, 3,5-dimethyl-4-phenyl-
CAS No: 119590-52-2 Catalog No: AG000IZB MDL No:
Product Description
Catalog Number:
AG000IZB
Chemical Name:
2(5H)-Furanone, 3,5-dimethyl-4-phenyl-
CAS Number:
119590-52-2
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
2,4-dimethyl-3-phenyl-2H-furan-5-one
InChI:
InChI=1S/C12H12O2/c1-8-11(9(2)14-12(8)13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChI Key:
XXHUZTHDWVLIGV-UHFFFAOYSA-N
SMILES:
CC1OC(=O)C(=C1c1ccccc1)C
Properties
Complexity:
272
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:
2.2
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