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820991-13-7 | Cyclohexanecarboxylic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)-, (1R,2R)-
CAS No: 820991-13-7 Catalog No: AG004WIZ MDL No:
Product Description
Catalog Number:
AG004WIZ
Chemical Name:
Cyclohexanecarboxylic acid, 2-([1,1'-biphenyl]-4-ylcarbonyl)-, (1R,2R)-
CAS Number:
820991-13-7
Molecular Formula:
C20H20O3
Molecular Weight:
308.3710
IUPAC Name:
(1R,2R)-2-(4-phenylbenzoyl)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C20H20O3/c21-19(17-8-4-5-9-18(17)20(22)23)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H,22,23)/t17-,18-/m1/s1
InChI Key:
LDLXKVUCPJXHNF-QZTJIDSGSA-N
SMILES:
OC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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