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125992-57-6 | Cyclohexanol, 2-(phenylmethoxy)-, 1-acetate, (1R,2R)-
CAS No: 125992-57-6 Catalog No: AG000QNO MDL No:
Product Description
Catalog Number:
AG000QNO
Chemical Name:
Cyclohexanol, 2-(phenylmethoxy)-, 1-acetate, (1R,2R)-
CAS Number:
125992-57-6
Molecular Formula:
C15H20O3
Molecular Weight:
248.3175
IUPAC Name:
acetic acid;2-phenylmethoxycyclohexan-1-ol
InChI:
InChI=1S/C13H18O2.C2H4O2/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11;1-2(3)4/h1-3,6-7,12-14H,4-5,8-10H2;1H3,(H,3,4)
InChI Key:
JWPVEELGYUCCOB-UHFFFAOYSA-N
SMILES:
CC(=O)O[C@@H]1CCCC[C@H]1OCc1ccccc1
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.152g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.337g/mol
Monoisotopic Mass:
266.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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