Compound: 2-FUROIC ACID
SMILES: O=C(O)c1occc1
InChIKey: SMNDYUVBFMFKNZ-UHFFFAOYSA-N
Synonyms: 2-FUROIC ACID, 88-14-2, 2-Furancarboxylic acid, Pyromucic acid, 2-Carboxyfuran, alpha-Furoic acid, 2-furanoic acid, alpha-Furancarboxylic acid, DTXSID6041420, NSC-8842, P577F6494A, DTXCID4021420, CHEBI:30845, NSC-58965, RefChem:909849, 201-803-0, Furan-2-carboxylic acid, FUROIC ACID, Furancarboxylic acid, 26447-28-9, Kyselina 2-furoova, Kyselina pyroslizova, .alpha.-Furoic acid, NSC 8842, .alpha.-Furancarboxylic acid, MFCD00003238, Kyselina 2-furoova [Czech], Kyselina pyroslizova [Czech], CCRIS 2157, EINECS 201-803-0, EINECS 247-713-5, BRN 0110149, Pyromucate, Furoate, Furoica, furanoic acid, Furancarboxylate, alpha-Furoate, furic acid, beta-Furoate, 2-Furoic acid [per EINECS], AI3-16500, a-Furoate, b-Furoate, a-Furoic acid, b-Furoic acid, acido 2-furoico, beta-Furoic acid, UNII-P577F6494A, 2-Furanoate, a-Furancarboxylate, acide 2-furoique, b-Furancarboxylate, Furancarbonylic acid, beta-Furancarboxylate, Furan-2-carbonsaeure, alpha-Furancarboxylate, a-Furancarboxylic acid, b-Furancarboxylic acid, Furan-2-carboxylicacid, Ceftiofur Impurity 18, 2-Furanecarboxylic acid, 2-Furoic acid 98%, 2-furan carboxylic acid, beta-Furancarboxylic acid, furane-2-carboxylic acid, 2-Furoic acid, 98%, Furancarboxylic acid-(2), bmse000330, 2-Furoic acid (Standard), SCHEMBL24446, 5-18-06-00102 (Beilstein Handbook Reference), 2-FUROIC ACID [MI], SCHEMBL260930, orb1301707, orb3140203, SCHEMBL1099343, SCHEMBL3675612, SCHEMBL7407125, CHEMBL1232797, MSK2638, NSC8842, 2-Furoic acid, analytical standard, HY-W012946R, STR01019, WGC36563, Tox21_301128, BBL009679, EBC-48202, s4864, SBB004324, STK256918, 2-FUROIC ACID [USP IMPURITY], AKOS000119036, CCG-266054, CS-W013662, FF14744, HY-W012946, PS-3380, CAS-88-14-2, NCGC00248301-01, NCGC00255027-01, DA-63636, F0081, NS00014683, ST50213874, EN300-19302, C01546, AB00375923-02, AC-907/25014051, F093393, Q2210953, 2-Furancarboxylic Acid(Discontinued,See C4X-158118), F9995-1642, Z104473462, InChI=1/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7
Theoretical properties:
molecular_formula: C5H4O3
molecular_weight: 112.08 g/mol
exact_mass: 112.016043985 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 8
topological_polar_surface_area: 50.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: 230.00 to 232.00 °C. @ 760.00 mm Hg
melting_point: 133.5 °C
solubility: 37.1 mg/mL at 15 °C
Descriptions:
pubchem: 2-furoic acid is a furoic acid having the carboxylic acid group located at position 2. It has a role as an inhibitor, a Saccharomyces cerevisiae metabolite, a plant metabolite, a human xenobiotic metabolite and a bacterial xenobiotic metabolite. It is a conjugate acid of a 2-furoate.
chebi: A furoic acid having the carboxylic acid group located at position 2.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2-Furoic acid is an organic compound, consisting of a furan ring and a carboxylic acid side-group. Along with other furans, its name is derived from the Latin word furfur, meaning bran, from which these compounds were first produced. The salts and esters of furoic acids are known as furoates. 2-Furoic acid is most widely encountered in food products as a preservative and a flavouring agent, where it imparts a sweet, earthy flavour.