Oxane-4-carboxylic acid

C₆H₁₀O₃CAS 5337-03-1130.14 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₆H₁₀O₃
Molar mass: 130.14 g/mol
Exact mass: 130.0630 Da
logP: 0.50Crippen estimate
Polar surface area: 46.5 Å²
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

5337-03-1

SMILES

C1COCCC1C(=O)O

InChIKey

AVPKHOTUOHDTLW-UHFFFAOYSA-N

InChI

InChI=1S/C6H10O3/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)

Weigh it out

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Names and synonyms

1 names

Tetrahydro-2H-pyran-4-carboxylic acid

Work with Oxane-4-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

(R)-Tetrahydrofuran-3-carboxylic acid66838-42-475 % similar (R)-Tetrahydro-3-furoic acid89364-31-875 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-767 % similar Cyclopropanecarboxylic acid1759-53-167 % similar 1,4-Cyclohexanedicarboxylic acid619-81-867 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-967 % similar Cyclopentanecarboxylic acid3400-45-161 % similar Cyclobutanecarboxylic acid3721-95-761 % similar

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

Same formula

Ethyl 2-(hydroxymethyl)-2-propenoate10029-04-6 Ethyl 4-hydroxycrotonate10080-68-9 Ethyl 2-[(2S)-oxiran-2-yl]acetate112083-63-3 Propionic anhydride123-62-6 3-(2-Propyn-1-yloxy)-1,2-propanediol13580-38-6 2-Hydroxyadipaldehyde141-31-1 Ethyl acetoacetate141-97-9 (±)-3-Methyl-2-oxovaleric acid1460-34-0

Elsewhere

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