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Home > Pyridines > 246160-12-3
246160-12-3 | 1,5-Hexanedione, 1-(2-pyridinyl)-
CAS No: 246160-12-3 Catalog No: AG002OSA MDL No:
Product Description
Catalog Number:
AG002OSA
Chemical Name:
1,5-Hexanedione, 1-(2-pyridinyl)-
CAS Number:
246160-12-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
1-pyridin-2-ylhexane-1,5-dione
InChI:
InChI=1S/C11H13NO2/c1-9(13)5-4-7-11(14)10-6-2-3-8-12-10/h2-3,6,8H,4-5,7H2,1H3
InChI Key:
GKKOKAHAAWHQMD-UHFFFAOYSA-N
SMILES:
CC(=O)CCCC(=O)c1ccccn1
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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