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820994-14-7 | Cyclohexanecarboxylic acid, 2-benzoyl-5-phenyl-
CAS No: 820994-14-7 Catalog No: AG0051T8 MDL No:
Product Description
Catalog Number:
AG0051T8
Chemical Name:
Cyclohexanecarboxylic acid, 2-benzoyl-5-phenyl-
CAS Number:
820994-14-7
Molecular Formula:
C20H20O3
Molecular Weight:
308.3710
IUPAC Name:
2-benzoyl-5-phenylcyclohexane-1-carboxylic acid
InChI:
InChI=1S/C20H20O3/c21-19(15-9-5-2-6-10-15)17-12-11-16(13-18(17)20(22)23)14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H,22,23)
InChI Key:
HADMFWZJTNZVQK-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(CC1C(=O)O)c1ccccc1)c1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.141g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.377g/mol
Monoisotopic Mass:
308.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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