3-Methylenecyclobutanecarboxylic acid

C₆H₈O₂CAS 15760-36-8112.13 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₆H₈O₂
Molar mass: 112.13 g/mol
Exact mass: 112.0524 Da
Boiling point: 102.5–103 °C (at 11 Torr)
logP: 1.04Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15760-36-8

SMILES

C=C1CC(C(=O)O)C1

InChIKey

NNKLICLIBKMDOY-UHFFFAOYSA-N

InChI

InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8)

Weigh it out

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

Names and synonyms

5 names

Cyclobutanecarboxylic acid, 3-methylene-
3-Methylenecyclobutylcarboxylic acid
3-Methylidenecyclobutanecarboxylic acid
3-(Methylene)cyclobutane-1-carboxylic acid
3-Methylidenecyclobutane-1-carboxylic acid

Work with 3-Methylenecyclobutanecarboxylic acid

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Oxocyclobutanecarboxylic acid23761-23-158 % similar Propane-1,2,3-tricarboxylic acid99-14-956 % similar 3,5-Dioxocyclohexanecarboxylic acid42858-60-654 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar Cyclopropanecarboxylic acid1759-53-152 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar 2-Ethylbutanoic acid88-09-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 Glycidyl propargyl ether18180-30-8 3,4-Dihydro-2H-pyran-5-carbaldehyde25090-33-9

Elsewhere

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