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13128-74-0 | 1,3-Cyclohexanedione, 4,4-diphenyl-
CAS No: 13128-74-0 Catalog No: AG000VVC MDL No:
Product Description
Catalog Number:
AG000VVC
Chemical Name:
1,3-Cyclohexanedione, 4,4-diphenyl-
CAS Number:
13128-74-0
Molecular Formula:
C18H16O2
Molecular Weight:
264.3184
IUPAC Name:
4,4-diphenylcyclohexane-1,3-dione
InChI:
InChI=1S/C18H16O2/c19-16-11-12-18(17(20)13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13H2
InChI Key:
RMNXDIURPRSSPG-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)C1)(c1ccccc1)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.324g/mol
Monoisotopic Mass:
264.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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