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898542-86-4 | Cyclohexanone, 2-[(R)-hydroxy(4-methylphenyl)methyl]-, (2S)-
CAS No: 898542-86-4 Catalog No: AG003X34 MDL No:
Product Description
Catalog Number:
AG003X34
Chemical Name:
Cyclohexanone, 2-[(R)-hydroxy(4-methylphenyl)methyl]-, (2S)-
CAS Number:
898542-86-4
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
(2S)-2-[(R)-hydroxy-(4-methylphenyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C14H18O2/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15/h6-9,12,14,16H,2-5H2,1H3/t12-,14+/m1/s1
InChI Key:
SEQBEAUPXVRRFA-OCCSQVGLSA-N
SMILES:
O=C1CCCC[C@H]1[C@H](c1ccc(cc1)C)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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