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13672-84-9 | 2-Pyridinepentanoic acid, δ-oxo-
CAS No: 13672-84-9 Catalog No: AG0012A5 MDL No:MFCD01320176
Product Description
Catalog Number:
AG0012A5
Chemical Name:
2-Pyridinepentanoic acid, δ-oxo-
CAS Number:
13672-84-9
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD01320176
IUPAC Name:
5-oxo-5-pyridin-2-ylpentanoic acid
InChI:
InChI=1S/C10H11NO3/c12-9(5-3-6-10(13)14)8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H,13,14)
InChI Key:
PCOQLTGFABOREH-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1ccccn1
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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