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70165-31-0 | 6-Cyanonicotinic acid
CAS No: 70165-31-0 Catalog No: AG0036LG MDL No:MFCD01318135
Product Description
Catalog Number:
AG0036LG
Chemical Name:
6-Cyanonicotinic acid
CAS Number:
70165-31-0
Molecular Formula:
C7H4N2O2
Molecular Weight:
148.1189
MDL Number:
MFCD01318135
IUPAC Name:
6-cyanopyridine-3-carboxylic acid
InChI:
InChI=1S/C7H4N2O2/c8-3-6-2-1-5(4-9-6)7(10)11/h1-2,4H,(H,10,11)
InChI Key:
WMHSQCDPPJRWIL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cn1)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 |
|---|---|
| Diaqua-bis[5-(5-carboxy-2-pyridyl)tetra-zolato-κN,N]cadmium(II) dihydrate. | Acta crystallographica. Section E, Structure reports online 20090401 |
| Bis[μ-5-(5-carboxyl-ato-3-pyrid-yl)tetra-zolato-κN,N:N]bis-[triaqua-zinc(II)]. | Acta crystallographica. Section E, Structure reports online 20090401 |
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