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161233-97-2 | 4-Pyridinecarboxylic acid, 2-cyano-
CAS No: 161233-97-2 Catalog No: AG001SAL MDL No:MFCD03411729
Product Description
Catalog Number:
AG001SAL
Chemical Name:
4-Pyridinecarboxylic acid, 2-cyano-
CAS Number:
161233-97-2
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD03411729
IUPAC Name:
2-cyanopyridine-4-carboxylic acid
InChI:
InChI=1S/C7H4N2O2/c8-4-6-3-5(7(10)11)1-2-9-6/h1-3H,(H,10,11)
InChI Key:
MPSVJNPESHZCIB-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(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:
148.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
148.121g/mol
Monoisotopic Mass:
148.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Biotransformation of heterocyclic dinitriles by Rhodococcus erythropolis and fungal nitrilases. | Biotechnology letters 20070701 |
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