2-Furoic acid
Properties
- Molecular formula
- C5H4O3
- Molar mass
- 112.08 g/mol
- Exact mass
- 112.0160 Da
- Density
- 1.48 g/mL
- Melting point
- 133.5 °C
- Boiling point
- 231 °C
- logP
- 0.98Crippen estimate
- Polar surface area
- 50.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation64.5% of notifiers
- H319 Causes serious eye irritation62.5% of notifiers
- H335 May cause respiratory irritation23% of notifiers
Aggregated from 256 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88-14-2SMILES
O=C(O)c1ccco1InChIKey
SMNDYUVBFMFKNZ-UHFFFAOYSA-NInChI
InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- 2-Furancarboxylic acid
- α-Furancarboxylic acid
- α-Furoic acid
- Pyromucic acid
- 2-Carboxyfuran
- 2-Furanoic acid
- NSC 58965
- NSC 8842
- Furan-2-carboxylic acid
Reactions
Work with 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Alpha-furil492-94-458 % similar
2,5-Furandicarboxylic acid3238-40-254 % similar
2-Acetylfuran1192-62-752 % similar
2-Furoyl chloride527-69-552 % similar
2-Furancarboxamide609-38-152 % similar
Phthalic acid88-99-350 % similar
2-Furancarboxylic acid hydrazide3326-71-448 % similar
4-Benzofurancarboxylic acid166599-84-447 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.