Chelidonic acid
Properties
- Molecular formula
- C7H4O6
- Molar mass
- 184.10 g/mol
- Exact mass
- 184.0008 Da
- Density
- 1.57 g/mL
- Melting point
- 262 °C
- logP
- 0.04Crippen estimate
- Polar surface area
- 104.8 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation95.1% of notifiers
- H319 Causes serious eye irritation95.1% of notifiers
- H335 May cause respiratory irritation95.1% of notifiers
Aggregated from 41 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
99-32-1SMILES
O=C(O)c1cc(=O)cc(C(=O)O)o1InChIKey
PBAYDYUZOSNJGU-UHFFFAOYSA-NInChI
InChI=1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- 4H-Pyran-2,6-dicarboxylic acid, 4-oxo-
- 4-Oxo-4H-pyran-2,6-dicarboxylic acid
- Jerva acid
- Jervaic acid
- Jervasic acid
- 4-Oxo-1,4-pyran-2,6-dicarboxylic acid
- γ-Pyrone-2,6-dicarboxylic acid
- 2,6-Dicarboxy-4-pyrone
- 4-Pyranone-2,6-dicarboxylic acid
- NSC 3979
Reactions
Work with Chelidonic 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
2,5-Furandicarboxylic acid3238-40-260 % similar
Chelidamic acid138-60-352 % similar
4,5-Dibromofuran-2-carboxylic acid2434-03-950 % similar
4,5-Dimethylfuran-2-carboxylic acid89639-83-850 % similar
2-Benzofurancarboxylic acid496-41-348 % similar
4-Oxo-4H-1-benzopyran-2-carboxylic acid4940-39-047 % similar
5-Methoxybenzofuran-2-carboxylic acid10242-08-745 % similar
5-Methyl-2-furoic acid1917-15-344 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds