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121961-01-1 | Cyclohexanol, 2-(phenylmethyl)-, (1R,2S)-
CAS No: 121961-01-1 Catalog No: AG0016HC MDL No:
Product Description
Catalog Number:
AG0016HC
Chemical Name:
Cyclohexanol, 2-(phenylmethyl)-, (1R,2S)-
CAS Number:
121961-01-1
Molecular Formula:
C13H18O
Molecular Weight:
190.2814
IUPAC Name:
2-benzylcyclohexan-1-ol
InChI:
InChI=1S/C13H18O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2
InChI Key:
OXELMKYUIJQOJR-UHFFFAOYSA-N
SMILES:
O[C@@H]1CCCC[C@H]1Cc1ccccc1
NSC Number:
2430
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.286g/mol
Monoisotopic Mass:
190.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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