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113412-25-2 | Cyclohexanecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS No: 113412-25-2 Catalog No: AG0008HW MDL No:
Product Description
Catalog Number:
AG0008HW
Chemical Name:
Cyclohexanecarboxylic acid, [1,1'-biphenyl]-4-yl ester
CAS Number:
113412-25-2
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
(4-phenylphenyl) cyclohexanecarboxylate
InChI:
InChI=1S/C19H20O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17H,2,5-6,9-10H2
InChI Key:
FNFLCKGXSVZHKK-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Oc1ccc(cc1)c1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.146g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.367g/mol
Monoisotopic Mass:
280.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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