2-Furanpropanoic acid
Properties
- Molecular formula
- C7H8O3
- Molar mass
- 140.14 g/mol
- Exact mass
- 140.0473 Da
- Melting point
- 58 °C
- Boiling point
- 229 °C
- logP
- 1.30Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage86.7% of notifiers
- H319 Causes serious eye irritation13.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
935-13-7SMILES
O=C(O)CCc1ccco1InChIKey
XLTJXJJMUFDQEZ-UHFFFAOYSA-NInChI
InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2-Furanpropionic acid
- β-(2-Furyl)propionic acid
- 3-(2-Furyl)propanoic acid
- 3-Furan-2-ylpropionic acid
- 3-(2-Furyl)propionic acid
- 3-(Furan-2-yl)propanoic acid
Work with 2-Furanpropanoic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
(βS)-β-Amino-2-furanbutanoic acid270263-05-355 % similar
1,4-Benzenedipropanoic acid4251-21-253 % similar
Phenylpropanoic acid501-52-053 % similar
Ethyl 2-furanpropanoate10031-90-051 % similar
4-Phenylbutyric acid1821-12-147 % similar
3-Amino-3-(furan-2-yl)propanoic acid73456-99-246 % similar
3-(2-Bromophenyl)propionic acid15115-58-946 % similar
Melilotic acid495-78-346 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
Ethyl 2-furoate1335-40-6
5-Methoxyresorcinol2174-64-3
Methyl 5-methyl-2-furancarboxylate2527-96-0
3,5-Dihydroxybenzyl alcohol29654-55-5
Rel-(3aR,6aS)-Tetrahydro-1H-cyclopenta[c]furan-1,3(3aH)-dione35878-28-5
2-Acetyl-1,3-cyclopentanedione3859-39-0
3,4-Dihydroxybenzyl alcohol3897-89-0
Ethyl maltol4940-11-8