1-Methylcyclobutanecarboxylic acid

C₆H₁₀O₂CAS 32936-76-8114.14 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₆H₁₀O₂
Molar mass: 114.14 g/mol
Exact mass: 114.0681 Da
logP: 1.26Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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 inhaled100% 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

32936-76-8

SMILES

CC1(CCC1)C(=O)O

InChIKey

GCZGQVRHZLOCDD-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)

Weigh it out

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

Names and synonyms

1 names

1-Methylcyclobutane-1-carboxylic acid

Work with 1-Methylcyclobutanecarboxylic 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

1-Methylcyclohexanecarboxylic acid1123-25-786 % similar 1-Methylcyclopropanecarboxylic acid6914-76-781 % similar 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-565 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-960 % similar Dimethylolpropionic acid4767-03-760 % similar 3-Methyl-3-oxetanecarboxylic Acid28562-68-758 % similar 1,1-Cyclobutanedicarboxylic acid5445-51-254 % similar 1-Hydroxy-cyclobutanecarboxylic acid41248-13-950 % similar

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

Same formula

2,2-Dimethylbut-3-enoic acid10276-09-2 4-Methyl-2-pentenoic acid10321-71-8 Allyl glycidyl ether106-92-3 1,5-Hexadiene-3,4-diol1069-23-4 Hexanedial1072-21-5 Hexane-2,5-dione110-13-4 Beta-Methyl-delta-valerolactone1121-84-2 2-Hexenoic acid1191-04-4

Elsewhere

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