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28484-27-7 | 2-Pentanone, 4-[(2-pyridinylmethyl)imino]-
CAS No: 28484-27-7 Catalog No: AG002VHA MDL No:
Product Description
Catalog Number:
AG002VHA
Chemical Name:
2-Pentanone, 4-[(2-pyridinylmethyl)imino]-
CAS Number:
28484-27-7
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
4-(pyridin-2-ylmethylimino)pentan-2-one
InChI:
InChI=1S/C11H14N2O/c1-9(7-10(2)14)13-8-11-5-3-4-6-12-11/h3-6H,7-8H2,1-2H3
InChI Key:
OCLWTLYSPQYSHH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=NCc1ccccn1)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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