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Home > Pyridines > 116178-44-0
116178-44-0 | 2-Pentanone, 4-(3-pyridinylimino)-
CAS No: 116178-44-0 Catalog No: AG000BTM MDL No:
Product Description
Catalog Number:
AG000BTM
Chemical Name:
2-Pentanone, 4-(3-pyridinylimino)-
CAS Number:
116178-44-0
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
4-pyridin-3-yliminopentan-2-one
InChI:
InChI=1S/C10H12N2O/c1-8(6-9(2)13)12-10-4-3-5-11-7-10/h3-5,7H,6H2,1-2H3
InChI Key:
VMLLMDKTQIEPQC-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=Nc1cccnc1)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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