(2S)-Tetrahydro-2-furancarboxylic acid

C₅H₈O₃CAS 87392-07-2116.12 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₅H₈O₃
Molar mass: 116.12 g/mol
Exact mass: 116.0473 Da
logP: 0.25Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed85.1% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

87392-07-2

SMILES

O=C(O)[C@@H]1CCCO1

InChIKey

UJJLJRQIPMGXEZ-BYPYZUCNSA-N

InChI

InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1

Weigh it out

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

Names and synonyms

12 names

2-Furancarboxylic acid, tetrahydro-, (2S)-
(-)-Tetrahydro-2-furoic acid
(S)-Tetrahydro-2-furoic acid
(S)-Tetrahydro-2-furancarboxylic acid
(S)-(-)-Tetrahydrofuran-2-carboxylic acid
(S)-(-)-Tetrahydro-2-furoic acid
(2S)-Oxolane-2-carboxylic acid
(S)-Tetrahydrofuroic acid
2-Furancarboxylic acid tetrahydro-, (2S)-
2-Furancarboxylic acid, tetrahydro-, (S)-
(-)-Tetrahydrofuran-2-carboxylic acid
Tetrahydro-2-furoic acid, (-)-

Work with (2S)-Tetrahydro-2-furancarboxylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-(+)-2-Tetrahydrofuroic acid87392-05-0Enantiomer Tetrahydro-2-furoic acid16874-33-2Stereo not defined

Similar compounds

Tetrahydropyran-2-carboxylic acid51673-83-788 % similar Oxetane-2-carboxylic acid864373-47-775 % similar 1-(Oxolan-2-yl)ethan-1-one25252-64-652 % similar Methyl tetrahydro-2-furancarboxylate37443-42-848 % similar Tetrahydro-2H-pyran-3-carboxylic acid873397-34-348 % similar Ethyl tetrahydrofuroate16874-34-345 % similar (2S)-5-Oxooxolane-2-carboxylic acid21461-84-745 % similar (2R)-Tetrahydro-5-oxo-2-furancarboxylic acid53558-93-345 % similar

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

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Alpha-ketovaleric acid1821-02-9 3-Hydroxycyclobutanecarboxylic acid194788-10-8 3-Methyl-3-oxetanecarboxylic Acid28562-68-7 (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-6

Elsewhere

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