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188926-32-1 | Cyclohexanone, 3-(phenylmethoxy)-2-[2-(phenylmethoxy)ethyl]-, (2R,3S)-rel-
CAS No: 188926-32-1 Catalog No: AG002HJP MDL No:
Product Description
Catalog Number:
AG002HJP
Chemical Name:
Cyclohexanone, 3-(phenylmethoxy)-2-[2-(phenylmethoxy)ethyl]-, (2R,3S)-rel-
CAS Number:
188926-32-1
Molecular Formula:
C22H26O3
Molecular Weight:
338.4400
IUPAC Name:
(2S,3R)-3-phenylmethoxy-2-(2-phenylmethoxyethyl)cyclohexan-1-one
InChI:
InChI=1S/C22H26O3/c23-21-12-7-13-22(25-17-19-10-5-2-6-11-19)20(21)14-15-24-16-18-8-3-1-4-9-18/h1-6,8-11,20,22H,7,12-17H2/t20-,22-/m1/s1
InChI Key:
PGSXYOKEOOTXEK-IFMALSPDSA-N
SMILES:
O=C1CCC[C@@H]([C@H]1CCOCc1ccccc1)OCc1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
338.188g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.447g/mol
Monoisotopic Mass:
338.188g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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