Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid
Properties
- Molecular formula
- C7H8O4
- Molar mass
- 156.14 g/mol
- Exact mass
- 156.0423 Da
- logP
- 0.33Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed20% of notifiers
- H302 Harmful if swallowed20% of notifiers
- H315 Causes skin irritation80% of notifiers
- H319 Causes serious eye irritation80% of notifiers
- H335 May cause respiratory irritation60% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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
56842-95-6SMILES
C1C2(CC1(C2)C(=O)O)C(=O)OInChIKey
SBLRPOGZAJTJEG-UHFFFAOYSA-NInChI
InChI=1S/C7H8O4/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H,8,9)(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
Work with Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid
Similar compounds
1,3,5,7-Adamantanetetracarboxylic acid100884-80-8100 % similar
Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-178 % similar
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-467 % similar
1,3-Adamantanedicarboxylic acid39269-10-861 % similar
3-(Methoxycarbonyl)bicyclo(1.1.1)pentane-1-carboxylic acid83249-10-960 % similar
3-Chloro-2,2-bis(chloromethyl)propanoic acid17831-70-857 % similar
1-Adamantanecarboxylic acid828-51-352 % similar
Dimethylmalonic acid595-46-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.