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Home > Pyridines > 1391207-37-6
1391207-37-6 | 3-(3-methylpyridin-2-yl)cyclohexan-1-one
CAS No: 1391207-37-6 Catalog No: AG01B7X9 MDL No:MFCD22534788
Product Description
Catalog Number:
AG01B7X9
Chemical Name:
3-(3-methylpyridin-2-yl)cyclohexan-1-one
CAS Number:
1391207-37-6
Molecular Formula:
C12H15NO
Molecular Weight:
189.2536
MDL Number:
MFCD22534788
IUPAC Name:
3-(3-methylpyridin-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C12H15NO/c1-9-4-3-7-13-12(9)10-5-2-6-11(14)8-10/h3-4,7,10H,2,5-6,8H2,1H3
InChI Key:
BNCWUMAHYSXYHP-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)c1ncccc1C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.258g/mol
Monoisotopic Mass:
189.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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