2,5-Pyrazinedicarboxylic acid
Properties
- Molecular formula
- C6H4N2O4
- Molar mass
- 168.11 g/mol
- Exact mass
- 168.0171 Da
- Melting point
- 269 °C (decomposes)
- logP
- -0.13Crippen estimate
- Polar surface area
- 100.4 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed25% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
122-05-4SMILES
O=C(O)c1cnc(C(=O)O)cn1InChIKey
GMIOYJQLNFNGPR-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- NSC 80650
- Pyrazine-2,5-dicarboxylic acid
Work with 2,5-Pyrazinedicarboxylic acid
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.
Similar compounds
5-Chloro-2-pyrazinecarboxylic acid36070-80-172 % similar
5-Aminopyrazine-2-carboxylic acid40155-43-972 % similar
5-Methyl-2-pyrazinecarboxylic acid5521-55-172 % similar
5-Bromo-2-pyrazinecarboxylic acid876161-05-672 % similar
5-Methoxy-2-pyrazinecarboxylic acid40155-42-864 % similar
Pyrazinoic acid98-97-564 % similar
2,5-Pyridinedicarboxylic acid100-26-562 % similar
5-Hydroxypyridine-2-carboxylic acid15069-92-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds