Aconitic anhydride
Properties
- Molecular formula
- C6H4O5
- Molar mass
- 156.09 g/mol
- Exact mass
- 156.0059 Da
- logP
- -0.53Crippen estimate
- Polar surface area
- 80.7 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
6318-55-4SMILES
O=C(O)CC1=CC(=O)OC1=OInChIKey
GVJRTUUUJYMTNQ-UHFFFAOYSA-NInChI
InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 3-Furanacetic acid, 2,5-dihydro-2,5-dioxo-
- 1-Propene-1,2,3-tricarboxylic acid, cyclic 1,2-anhydride
- 1-Propene-1,2,3-tricarboxylic acid, 1,2-anhydride
- 2,5-Dihydro-2,5-dioxo-3-furanacetic acid
- cis-Aconitic acid anhydride
- cis-Aconitic anhydride
- Aconityl anhydride
- NSC 31662
- (2,5-Dioxo-2,5-dihydrofuran-3-yl)acetic acid
- 2-(2,5-Dioxo-2,5-dihydrofuran-3-yl)acetic acid
Work with Aconitic anhydride
Similar compounds
3-Bromo-2,5-furandione5926-51-244 % similar
trans-Aconitic acid4023-65-842 % similar
Aconitic acid499-12-742 % similar
cis-Aconitic acid585-84-242 % similar
Malonic acid141-82-241 % similar
Citraconic anhydrides616-02-439 % similar
Acetonedicarboxylic acid542-05-237 % similar
Trifluoromethylmaleic anhydride700-27-636 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds