Propane-1,2,3-tricarboxylic acid
Properties
- Molecular formula
- C6H8O6
- Molar mass
- 176.12 g/mol
- Exact mass
- 176.0321 Da
- Melting point
- 166 °C
- logP
- -0.36Crippen estimate
- Polar surface area
- 111.9 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation93.6% of notifiers
- H319 Causes serious eye irritation93.6% of notifiers
- H335 May cause respiratory irritation92.6% of notifiers
Aggregated from 94 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
99-14-9SMILES
O=C(O)CC(CC(=O)O)C(=O)OInChIKey
KQTIIICEAUMSDG-UHFFFAOYSA-NInChI
InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1,2,3-Propanetricarboxylic acid
- Tricarballylic acid
- Carballylic acid
- β-Carboxyglutaric acid
- 1,2,3-Tricarboxypropane
- 3-Carboxyglutaric acid
- NSC 2347
- AI-942/42301799
- Rikacid TCR 100
Reactions
Work with Propane-1,2,3-tricarboxylic acid
Similar compounds
1,2,3,4-Butanetetracarboxylic acid1703-58-865 % similar
3-Oxocyclobutanecarboxylic acid23761-23-161 % similar
Malic acid617-48-160 % similar
D-Malic acid636-61-360 % similar
Malic acid6915-15-760 % similar
L-Malic acid97-67-660 % similar
Benzylsuccinic acid36092-42-958 % similar
(2S)-2-(Phenylmethyl)butanedioic acid3972-36-958 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds