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140201-08-7 | 3-Pyridinecarboxylic acid, 1,4-dihydro-1-methyl-
CAS No: 140201-08-7 Catalog No: AG001C52 MDL No:
Product Description
Catalog Number:
AG001C52
Chemical Name:
3-Pyridinecarboxylic acid, 1,4-dihydro-1-methyl-
CAS Number:
140201-08-7
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
IUPAC Name:
1-methyl-4H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C7H9NO2/c1-8-4-2-3-6(5-8)7(9)10/h2,4-5H,3H2,1H3,(H,9,10)
InChI Key:
BCFPLUJRJLEPGV-UHFFFAOYSA-N
SMILES:
CN1C=C(CC=C1)C(=O)O
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Cyclodextrins in delivery systems: Applications. | Journal of pharmacy & bioallied sciences 20100101 |
| Potential prodrugs of non-steroidal anti-inflammatory agents for targeted drug delivery to the CNS. | European journal of medicinal chemistry 20040801 |
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