1-Hydroxy-cyclobutanecarboxylic acid

C₅H₈O₃CAS 41248-13-9116.12 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₅H₈O₃
Molar mass: 116.12 g/mol
Exact mass: 116.0473 Da
logP: -0.01Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

41248-13-9

SMILES

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

InChIKey

XCBNHDSVRQZWLH-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O3/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

1-Hydroxycyclobutanecarboxylic acid

Work with 1-Hydroxy-cyclobutanecarboxylic 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-Hydroxy-1-cyclopropanecarboxylic acid17994-25-180 % similar 1,1-Cyclobutanedicarboxylic acid5445-51-257 % similar Citric acid77-92-954 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-050 % similar 1-Aminocyclobutanecarboxylic acid22264-50-250 % similar 2,2,6,6-Tetramethylpimelic acid2941-45-950 % similar 1-Methylcyclobutanecarboxylic acid32936-76-850 % similar Diammonium citrate3012-65-548 % similar

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

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Tetrahydro-2-furoic acid16874-33-2 Alpha-ketovaleric acid1821-02-9 3-Hydroxycyclobutanecarboxylic acid194788-10-8 3-Methyl-3-oxetanecarboxylic Acid28562-68-7 (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-6

Elsewhere

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