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100192-17-4 | 2-(pyridine-4-carbonyl)cyclohexan-1-one
CAS No: 100192-17-4 Catalog No: AG01AL19 MDL No:MFCD16091109
Product Description
Catalog Number:
AG01AL19
Chemical Name:
2-(pyridine-4-carbonyl)cyclohexan-1-one
CAS Number:
100192-17-4
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD16091109
IUPAC Name:
2-(pyridine-4-carbonyl)cyclohexan-1-one
InChI:
InChI=1S/C12H13NO2/c14-11-4-2-1-3-10(11)12(15)9-5-7-13-8-6-9/h5-8,10H,1-4H2
InChI Key:
NSTCBWTUKABFFO-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1C(=O)c1ccncc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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