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Home > Pyridines > 145434-31-7
145434-31-7 | Cyclohexanol, 5-methyl-2-(1-methylethyl)-1-(2-pyridinyl)-, (1S,2S,5R)-
CAS No: 145434-31-7 Catalog No: AG001D1B MDL No:
Product Description
Catalog Number:
AG001D1B
Chemical Name:
Cyclohexanol, 5-methyl-2-(1-methylethyl)-1-(2-pyridinyl)-, (1S,2S,5R)-
CAS Number:
145434-31-7
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
IUPAC Name:
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-pyridin-2-ylcyclohexan-1-ol
InChI:
InChI=1S/C15H23NO/c1-11(2)13-8-7-12(3)10-15(13,17)14-6-4-5-9-16-14/h4-6,9,11-13,17H,7-8,10H2,1-3H3/t12-,13+,15+/m1/s1
InChI Key:
VTPUHPXHDLJKML-IPYPFGDCSA-N
SMILES:
C[C@@H]1CC[C@H]([C@](C1)(O)c1ccccn1)C(C)C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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