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147751-02-8 | 2-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-, (S)- (9CI)
CAS No: 147751-02-8 Catalog No: AG001F53 MDL No:
Product Description
Catalog Number:
AG001F53
Chemical Name:
2-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-, (S)- (9CI)
CAS Number:
147751-02-8
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
IUPAC Name:
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
InChI:
InChI=1S/C6H7NO3/c8-5-3-1-2-4(7-5)6(9)10/h1,3-4H,2H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChI Key:
LPOSNJQWOACRGS-BYPYZUCNSA-N
SMILES:
O=C1C=CC[C@H](N1)C(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Inhibitors designed for the active site of dihydroorotase. | Bioorganic chemistry 20051201 |
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