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

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

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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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

(R)-Tetrahydrofuran-3-carboxylic acid66838-42-467 % similar (R)-Tetrahydro-3-furoic acid89364-31-867 % similar Tetrahydro-2H-pyran-3-carboxylic acid873397-34-362 % similar Oxane-4-carboxylic acid5337-03-158 % similar 3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid693248-53-258 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-757 % similar Cyclopropanecarboxylic acid1759-53-157 % similar 1,4-Cyclohexanedicarboxylic acid619-81-857 % 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 1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-1 α-Hydroxy-γ-butyrolactone19444-84-9 Trimethylene carbonate2453-03-4 P-Dioxanone3041-16-5

Elsewhere

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