chempirical

3,6-Pyridazinedicarboxylic acid

C6H4N2O4CAS 57266-70-3168.11 g/mol

Open in Covalent MOL file
NNOHOOOH
Carboxylic acid

Properties

Molecular formula
C6H4N2O4
Molar mass
168.11 g/mol
Exact mass
168.0171 Da
logP
-0.13Crippen estimate
Polar surface area
100.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57266-70-3
SMILES
C1=CC(=NN=C1C(=O)O)C(=O)O
InChIKey
FJPJFQGISLJONZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O4/c9-5(10)3-1-2-4(6(11)12)8-7-3/h1-2H,(H,9,10)(H,11,12)

Weigh it out

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Work with 3,6-Pyridazinedicarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Chloro-3-pyridazinecarboxylic acid5096-73-172 % similar 6-Methoxypyridazine-3-carboxylic acid56434-28-764 % similar Pyridazine-3-carboxylic acid2164-61-662 % similar 1,10-Phenanthroline-2,9-dicarboxylic acid57709-61-260 % similar Dipicolinic acid499-83-258 % similar 2,5-Pyridinedicarboxylic acid100-26-556 % similar 2-Pyridinecarboxylic acid, 5,6-dichloro-88912-24-755 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Dinitrobenzene100-25-4 2,4-Dinitrosoresorcinol118-02-5 2,5-Pyrazinedicarboxylic acid122-05-4 4-Nitropicolinic acid13509-19-8 4,6-Pyrimidine dicarboxylic acid16490-02-1 5-Nitronicotinic acid2047-49-6 6-Nitropyridine-2-carboxylic acid26893-68-5 5-Nitropicolinic acid30651-24-2

Elsewhere

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