Imidazole-4,5-dicarboxylic acid
Properties
- Molecular formula
- C5H4N2O4
- Molar mass
- 156.10 g/mol
- Exact mass
- 156.0171 Da
- Density
- 0.2 g/mL
- Melting point
- 288 °C
- logP
- -0.19Crippen estimate
- Polar surface area
- 103.3 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
570-22-9SMILES
O=C(O)c1nc[nH]c1C(=O)OInChIKey
ZEVWQFWTGHFIDH-UHFFFAOYSA-NInChI
InChI=1S/C5H4N2O4/c8-4(9)2-3(5(10)11)7-1-6-2/h1H,(H,6,7)(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1H-Imidazole-4,5-dicarboxylic acid
- 4,5-Glyoxalinedicarboxylic acid
- 4,5-Dicarboxyimidazole
- α,β-Imidazoledicarboxylic acid
- NSC 9236
- 4,5-Imidazoledicarboxylic acid
Work with Imidazole-4,5-dicarboxylic acid
Similar compounds
2,3-Pyrazinedicarboxylic acid89-01-050 % similar
3H-Imidazo[4,5-B]pyridine-7-carboxylic acid78316-08-246 % similar
3-Hydroxypyrazine-2-carboxylic acid20737-42-246 % similar
3-Amino-2-pyrazinecarboxylic acid5424-01-145 % similar
1,2,3-Triazole-4,5-dicarboxylic acid4546-95-645 % similar
Benzimidazole-5,6-dicarboxylic acid10351-75-444 % similar
1H-Imidazole-5-carboxylic acid1072-84-042 % similar
1H-Imidazole-2-carboxylic acid16042-25-442 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.