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13161-18-7 | Cyclohexanone, 2-[(R)-hydroxyphenylmethyl]-, (2R)-rel-
CAS No: 13161-18-7 Catalog No: AG000ZHH MDL No:
Product Description
Catalog Number:
AG000ZHH
Chemical Name:
Cyclohexanone, 2-[(R)-hydroxyphenylmethyl]-, (2R)-rel-
CAS Number:
13161-18-7
Molecular Formula:
C13H16O2
Molecular Weight:
204.2649
IUPAC Name:
2-[hydroxy(phenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C13H16O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11,13,15H,4-5,8-9H2
InChI Key:
YQBZNNFVXOBDSJ-UHFFFAOYSA-N
SMILES:
O=C1CCCC[C@@H]1[C@H](c1ccccc1)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.269g/mol
Monoisotopic Mass:
204.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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