chempirical

Oxetane-2-carboxylic acid

C4H6O3CAS 864373-47-7102.09 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C4H6O3
Molar mass
102.09 g/mol
Exact mass
102.0317 Da
logP
-0.14Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 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
864373-47-7
SMILES
C1COC1C(=O)O
InChIKey
ZKCXAZCRQJSFTQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)

Weigh it out

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Work with Oxetane-2-carboxylic 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

Tetrahydro-2-furoic acid16874-33-275 % similar (R)-(+)-2-Tetrahydrofuroic acid87392-05-075 % similar (2S)-Tetrahydro-2-furancarboxylic acid87392-07-275 % similar Tetrahydropyran-2-carboxylic acid51673-83-772 % similar (2S)-5-Oxooxolane-2-carboxylic acid21461-84-748 % similar (2R)-Tetrahydro-5-oxo-2-furancarboxylic acid53558-93-348 % similar Oxane-4-carboxylic acid5337-03-148 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-746 % similar

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

Same formula

Acetic anhydride108-24-7 Propylene carbonate108-32-7 Methyl (2R)-2-oxiranecarboxylate111058-32-3 3-Oxetanecarboxylic acid114012-41-8 (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-6 1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-1 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4

Elsewhere

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