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4434-13-3 | 5-Methylpyridine-2-carboxylic acid
CAS No: 4434-13-3 Catalog No: AG0037UV MDL No:MFCD01704358
Product Description
Catalog Number:
AG0037UV
Chemical Name:
5-Methylpyridine-2-carboxylic acid
CAS Number:
4434-13-3
Molecular Formula:
C7H7NO2
Molecular Weight:
137.1360
MDL Number:
MFCD01704358
IUPAC Name:
5-methylpyridine-2-carboxylic acid
InChI:
InChI=1S/C7H7NO2/c1-5-2-3-6(7(9)10)8-4-5/h2-4H,1H3,(H,9,10)
InChI Key:
HWMYXZFRJDEBKC-UHFFFAOYSA-N
SMILES:
Cc1ccc(nc1)C(=O)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
137.138g/mol
Monoisotopic Mass:
137.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Diaqua-bis(5-methyl-pyridine-2-carboxyl-ato-κN,O)zinc(II). | Acta crystallographica. Section E, Structure reports online 20090101 |
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