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139549-65-8 | 2-Pyridinecarboxylic acid, 3,4-dihydro-
CAS No: 139549-65-8 Catalog No: AG001B83 MDL No:
Product Description
Catalog Number:
AG001B83
Chemical Name:
2-Pyridinecarboxylic acid, 3,4-dihydro-
CAS Number:
139549-65-8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
IUPAC Name:
3,4-dihydropyridine-2-carboxylic acid
InChI:
InChI=1S/C6H7NO2/c8-6(9)5-3-1-2-4-7-5/h2,4H,1,3H2,(H,8,9)
InChI Key:
FIZUQXLGABRGSR-UHFFFAOYSA-N
SMILES:
OC(=O)C1=NC=CCC1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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