Tetrahydro-2-furoic acid

C5H8O3CAS 16874-33-2116.12 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidEther

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
Density
1.218 g/mL (at 16 °C)
Melting point
21 °C
Boiling point
128–129 °C (at 13 Torr)
logP
0.25Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 126 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
16874-33-2
SMILES
O=C(O)C1CCCO1
InChIKey
UJJLJRQIPMGXEZ-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)

Weigh it out

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

Names and synonyms

10 names
  • 2-Furancarboxylic acid, tetrahydro-
  • 2-Furoic acid, tetrahydro-
  • Tetrahydro-2-furancarboxylic acid
  • (±)-Tetrahydro-2-furoic acid
  • (R,S)-Tetrahydrofuran-2-carboxylic acid
  • NSC 521564
  • (±)-Tetrahydrofuran-2-carboxylic acid
  • 1,2,3,4-Tetrahydrofuran-2-carboxylic acid
  • Tetrahydrofuran-2-carboxylic acid
  • (+-)-Tetrahydro-2-furoic acid

Work with Tetrahydro-2-furoic 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.

(2S)-Tetrahydro-2-furancarboxylic acid87392-07-2Defined stereoisomer (R)-(+)-2-Tetrahydrofuroic acid87392-05-0Defined stereoisomer

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 3-Oxo-propionic acid ethyl ester34780-29-5

Elsewhere

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