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22971-46-6 | 3-Pyridinepentanoic acid, δ-oxo-
CAS No: 22971-46-6 Catalog No: AG002LQO MDL No:
Product Description
Catalog Number:
AG002LQO
Chemical Name:
3-Pyridinepentanoic acid, δ-oxo-
CAS Number:
22971-46-6
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
IUPAC Name:
5-oxo-5-pyridin-3-ylpentanoic acid
InChI:
InChI=1S/C10H11NO3/c12-9(4-1-5-10(13)14)8-3-2-6-11-7-8/h2-3,6-7H,1,4-5H2,(H,13,14)
InChI Key:
CBCASGYWHGHBHC-UHFFFAOYSA-N
SMILES:
OC(=O)CCCC(=O)c1cccnc1
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:
0.2
Literature
| Title | Journal |
|---|---|
| Biotransformation of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) in peripheral human lung microsomes. | Drug metabolism and disposition: the biological fate of chemicals 20030901 |
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