Methyl cyclopropanecarboxylate

C₅H₈O₂CAS 2868-37-3100.12 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Boiling point: 114.9 °C
logP: 0.57Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor53.8% of notifiers
H226 Flammable liquid and vapor10.6% of notifiers
H302 Harmful if swallowed64.4% of notifiers
H311 Toxic in contact with skin40.4% of notifiers
H319 Causes serious eye irritation63.5% of notifiers
H331 Toxic if inhaled20.2% of notifiers

Aggregated from 104 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P337+P317, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2868-37-3

SMILES

COC(=O)C1CC1

InChIKey

PKAHQJNJPDVTDP-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-7-5(6)4-2-3-4/h4H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

Cyclopropanecarboxylic acid, methyl ester
Methyl cyclopropylcarboxylate
Cyclopropanoic acid methyl ester

Work with Methyl cyclopropanecarboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-2100 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-0100 % similar 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-181 % similar Methyl cyclopentanecarboxylate4630-80-281 % similar Cyclobutanecarboxylic acid methyl ester765-85-581 % similar Methyl cyclohexanecarboxylate4630-82-477 % similar Methyl 4-hydroxycyclohexanecarboxylate17449-76-275 % similar Methyl 4-hydroxycyclohexanecarboxylate6125-57-175 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4

Elsewhere

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