chempirical

3-Oxetanecarboxylic acid

C4H6O3CAS 114012-41-8102.09 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
-0.28Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
114012-41-8
SMILES
C1C(CO1)C(=O)O
InChIKey
UWOTZNQZPLAURK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O3/c5-4(6)3-1-7-2-3/h3H,1-2H2,(H,5,6)

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

Names and synonyms

1 names
  • Oxetane-3-carboxylic acid

Work with 3-Oxetanecarboxylic 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

1,4-Cyclohexanedicarboxylic acid1076-97-757 % similar 1,4-Cyclohexanedicarboxylic acid619-81-857 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-957 % similar Cyclopentanecarboxylic acid3400-45-152 % similar Cyclobutanecarboxylic acid3721-95-752 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-452 % similar Valproic acid99-66-152 % similar Cycloheptanecarboxylic acid1460-16-850 % 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 (4R)-4-Methyl-1,3-dioxolan-2-one16606-55-6 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4 P-Dioxanone3041-16-5 Poly(trimethylene carbonate)31852-84-3

Elsewhere

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