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129098-11-9 | Cyclohexanol, 2-phenyl-, 1-benzoate, (1R,2S)-
CAS No: 129098-11-9 Catalog No: AG000YTU MDL No:
Product Description
Catalog Number:
AG000YTU
Chemical Name:
Cyclohexanol, 2-phenyl-, 1-benzoate, (1R,2S)-
CAS Number:
129098-11-9
Molecular Formula:
C19H20O2
Molecular Weight:
280.3609
IUPAC Name:
benzoic acid;2-phenylcyclohexan-1-ol
InChI:
InChI=1S/C12H16O.C7H6O2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;8-7(9)6-4-2-1-3-5-6/h1-3,6-7,11-13H,4-5,8-9H2;1-5H,(H,8,9)
InChI Key:
ZTGALLPKLYXUAH-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)O[C@@H]1CCCC[C@H]1c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.382g/mol
Monoisotopic Mass:
298.157g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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