1,1-Cyclopropanedicarboxylic acid monomethyl ester
Properties
- Molecular formula
- C6H8O4
- Molar mass
- 144.13 g/mol
- Exact mass
- 144.0423 Da
- logP
- 0.02Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed12.5% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H315 Causes skin irritation87.5% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H335 May cause respiratory irritation87.5% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, 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
113020-21-6SMILES
COC(=O)C1(CC1)C(=O)OInChIKey
IZYOHLOUZVEIOS-UHFFFAOYSA-NInChI
InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1-(Methoxycarbonyl)cyclopropane-1-carboxylic acid
Work with 1,1-Cyclopropanedicarboxylic acid monomethyl ester
Similar compounds
Dimethyl 1,1-cyclopropanedicarboxylate6914-71-268 % similar
1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-963 % similar
3-(Methoxycarbonyl)bicyclo(1.1.1)pentane-1-carboxylic acid83249-10-958 % similar
1,1-Cyclopropanedicarboxylic acid598-10-756 % similar
Dimethyl diethylmalonate27132-23-652 % similar
Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate1459-96-750 % similar
Dipropylmalonic acid1636-27-747 % similar
Methyl 1-methylcyclopropane-1-carboxylate6206-25-347 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.