chempirical

2,5-Pyrazinedicarboxylic acid dihydrate

C6H8N2O6CAS 205692-63-3204.14 g/mol

Open in Covalent MOL file
NNOOHOOHH2OH2O
Carboxylic acid

Properties

Molecular formula
C6H8N2O6
Molar mass
204.14 g/mol
Exact mass
204.0382 Da
logP
-1.78Crippen estimate
Polar surface area
163.4 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
205692-63-3
SMILES
C1=C(N=CC(=N1)C(=O)O)C(=O)O.O.O
InChIKey
GVEVNOSZLMMBOR-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O4.2H2O/c9-5(10)3-1-7-4(2-8-3)6(11)12;;/h1-2H,(H,9,10)(H,11,12);2*1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2,5-Pyrazinedicarboxylic acid dihydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Pyrazinedicarboxylic acid122-05-4Anhydrous

Similar compounds

5-Chloro-2-pyrazinecarboxylic acid36070-80-164 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-964 % similar 5-Methyl-2-pyrazinecarboxylic acid5521-55-164 % similar 5-Methoxy-2-pyrazinecarboxylic acid40155-42-858 % similar Pyrazinoic acid98-97-557 % similar 2,5-Pyridinedicarboxylic acid100-26-555 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-853 % similar 4,6-Pyrimidine dicarboxylic acid16490-02-152 % similar

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

Elsewhere

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