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Home > Pyridines > 882497-84-9
882497-84-9 | Cyclohexanone, 2-[(R)-hydroxy-4-pyridinylmethyl]-, (2S)-
CAS No: 882497-84-9 Catalog No: AG004AMP MDL No:
Product Description
Catalog Number:
AG004AMP
Chemical Name:
Cyclohexanone, 2-[(R)-hydroxy-4-pyridinylmethyl]-, (2S)-
CAS Number:
882497-84-9
Molecular Formula:
C12H15NO2
Molecular Weight:
205.2530
IUPAC Name:
(2S)-2-[(R)-hydroxy(pyridin-4-yl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C12H15NO2/c14-11-4-2-1-3-10(11)12(15)9-5-7-13-8-6-9/h5-8,10,12,15H,1-4H2/t10-,12+/m1/s1
InChI Key:
XMRRGLWNAQVZMK-PWSUYJOCSA-N
SMILES:
O=C1CCCC[C@H]1[C@H](c1ccncc1)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
205.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.257g/mol
Monoisotopic Mass:
205.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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