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Home > Pyridines > 144128-79-0
144128-79-0 | 1,3-Cyclohexanedione, 5-(2-pyridinyl)-
CAS No: 144128-79-0 Catalog No: AG001IZ6 MDL No:MFCD11840302
Product Description
Catalog Number:
AG001IZ6
Chemical Name:
1,3-Cyclohexanedione, 5-(2-pyridinyl)-
CAS Number:
144128-79-0
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD11840302
IUPAC Name:
5-pyridin-2-ylcyclohexane-1,3-dione
InChI:
InChI=1S/C11H11NO2/c13-9-5-8(6-10(14)7-9)11-3-1-2-4-12-11/h1-4,8H,5-7H2
InChI Key:
ZCTSQHXOYMTGLP-UHFFFAOYSA-N
SMILES:
O=C1CC(=O)CC(C1)c1ccccn1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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