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7082-71-5 | Isonicotinic anhydride
CAS No: 7082-71-5 Catalog No: AG003R40 MDL No:MFCD00062784
Product Description
Catalog Number:
AG003R40
Chemical Name:
Isonicotinic anhydride
CAS Number:
7082-71-5
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
MDL Number:
MFCD00062784
IUPAC Name:
pyridine-4-carbonyl pyridine-4-carboxylate
InChI:
InChI=1S/C12H8N2O3/c15-11(9-1-5-13-6-2-9)17-12(16)10-3-7-14-8-4-10/h1-8H
InChI Key:
ORBIGZZHMAJXAZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)OC(=O)c1ccncc1
EC Number:
230-382-6
NSC Number:
139658
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Concentration dependent tautomerism in green [Cu(HL¹)(L²)] and brown [Cu(L¹)(HL²)] with H₂L¹ = (E)-N'-(2-hydroxy-3-methoxybenzylidene)benzoylhydrazone and HL² = pyridine-4-carboxylic (isonicotinic) acid. | Dalton transactions (Cambridge, England : 2003) 20110214 |
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