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89733-48-2 | [3,4'-Bipyridin]-6(1H)-one, 4,5-dihydro-2-methyl-
CAS No: 89733-48-2 Catalog No: AG0041SJ MDL No:
Product Description
Catalog Number:
AG0041SJ
Chemical Name:
[3,4'-Bipyridin]-6(1H)-one, 4,5-dihydro-2-methyl-
CAS Number:
89733-48-2
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
IUPAC Name:
6-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyridin-2-one
InChI:
InChI=1S/C11H12N2O/c1-8-10(2-3-11(14)13-8)9-4-6-12-7-5-9/h4-7H,2-3H2,1H3,(H,13,14)
InChI Key:
VCUHSTJXMRYVJC-UHFFFAOYSA-N
SMILES:
CC1=C(CCC(=O)N1)c1ccncc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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