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832712-03-5 | Cyclohexanone, 2-benzoyl-, (2S)-
CAS No: 832712-03-5 Catalog No: AG0056R7 MDL No:
Product Description
Catalog Number:
AG0056R7
Chemical Name:
Cyclohexanone, 2-benzoyl-, (2S)-
CAS Number:
832712-03-5
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
(2S)-2-benzoylcyclohexan-1-one
InChI:
InChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2/t11-/m0/s1
InChI Key:
YTVQIZRDLKWECQ-NSHDSACASA-N
SMILES:
O=C1CCCC[C@@H]1C(=O)c1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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