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100095-21-4 | 3-Pyridinepropanoic acid, 1,2-dihydro-1-methyl-2-oxo-
CAS No: 100095-21-4 Catalog No: AG0000WS MDL No:
Product Description
Catalog Number:
AG0000WS
Chemical Name:
3-Pyridinepropanoic acid, 1,2-dihydro-1-methyl-2-oxo-
CAS Number:
100095-21-4
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
3-(1-methyl-2-oxopyridin-3-yl)propanoic acid
InChI:
InChI=1S/C9H11NO3/c1-10-6-2-3-7(9(10)13)4-5-8(11)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChI Key:
BBWCFGULYFOUPL-UHFFFAOYSA-N
SMILES:
Cn1cccc(c1=O)CCC(=O)O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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