chempirical

Tetrahydro-2H-pyran-3-carboxylic acid

C6H10O3CAS 873397-34-3130.14 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C6H10O3
Molar mass
130.14 g/mol
Exact mass
130.0630 Da
logP
0.50Crippen 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
873397-34-3
SMILES
C1CC(COC1)C(=O)O
InChIKey
YEWPVCUHKJABMV-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)

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Work with Tetrahydro-2H-pyran-3-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 acid66838-42-477 % similar (R)-Tetrahydro-3-furoic acid89364-31-877 % similar 3-Oxetanecarboxylic acid114012-41-862 % similar Cyclopentanecarboxylic acid3400-45-158 % similar Cyclobutanecarboxylic acid3721-95-758 % similar Oxane-4-carboxylic acid5337-03-157 % similar Cycloheptanecarboxylic acid1460-16-856 % similar Cyclohexanecarboxylic acid26764-36-356 % 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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