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4939-97-3 | 3-OXO-3-(2-PYRIDYL)PROPIONIC ACID
CAS No: 4939-97-3 Catalog No: AG00E0FH MDL No:
Product Description
Catalog Number:
AG00E0FH
Chemical Name:
3-OXO-3-(2-PYRIDYL)PROPIONIC ACID
CAS Number:
4939-97-3
IUPAC Name:
3-oxo-3-pyridin-2-ylpropanoic acid
InChI:
InChI=1S/C8H7NO3/c10-7(5-8(11)12)6-3-1-2-4-9-6/h1-4H,5H2,(H,11,12)
InChI Key:
IXAWSZVFPZQOOT-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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