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69257-65-4 | (1r,2r)-2-methoxy-2-phenylcyclohexanol
CAS No: 69257-65-4 Catalog No: AG005K8L MDL No:
Product Description
Catalog Number:
AG005K8L
Chemical Name:
(1r,2r)-2-methoxy-2-phenylcyclohexanol
CAS Number:
69257-65-4
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
(1R,2R)-2-methoxy-2-phenylcyclohexan-1-ol
InChI:
InChI=1S/C13H18O2/c1-15-13(10-6-5-9-12(13)14)11-7-3-2-4-8-11/h2-4,7-8,12,14H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChI Key:
NPGMRFFHFAZMIJ-CHWSQXEVSA-N
SMILES:
CO[C@]1(CCCC[C@H]1O)c1ccccc1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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