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89375-71-3 | 2-Piperidinone, 3-[hydroxy(2-methyl-3-pyridinyl)methylene]-1-methyl-
CAS No: 89375-71-3 Catalog No: AG003WMQ MDL No:
Product Description
Catalog Number:
AG003WMQ
Chemical Name:
2-Piperidinone, 3-[hydroxy(2-methyl-3-pyridinyl)methylene]-1-methyl-
CAS Number:
89375-71-3
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
3-[hydroxy-(2-methylpyridin-3-yl)methylidene]-1-methylpiperidin-2-one
InChI:
InChI=1S/C13H16N2O2/c1-9-10(5-3-7-14-9)12(16)11-6-4-8-15(2)13(11)17/h3,5,7,16H,4,6,8H2,1-2H3
InChI Key:
VBRKXYCACHVGSI-UHFFFAOYSA-N
SMILES:
Cc1ncccc1C(=C1CCCN(C1=O)C)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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