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2-Furoic acid

ChemSpider ID: 13885741
Molecular Formula: C₅H₄O₃
Monoisotopic mass: 112.016045 Da
Systematic name

2-Furoic acid
SMILES and InChIs

SMILES:

OC(=O)c1ccco1 Copied

Std. InChI:

InChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7) Copied

Std. InChIKey:

SMNDYUVBFMFKNZ-UHFFFAOYSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.636	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-1.64	ACD/LogD (pH 7.4):	-2.48
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	1.00	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	3	#H bond donors:	1
#Freely Rotating Bonds:	1	Polar Surface Area:	50.44 Å²
Index of Refraction:	1.513	Molar Refractivity:	25.483 cm³
Molar Volume:	84.758 cm³	Polarizability:	10.102 10^-24cm³
Surface Tension:	48.2480010986328 dyne/cm	Density:	1.322 g/cm³
Flash Point:	94.195 °C	Enthalpy of Vaporization:	49.548 kJ/mol
Boiling Point:	232.14 °C at 760 mmHg	Vapour Pressure:	0.0329999998211861 mmHg at 25°C

Click to predict properties on the Chemicalize site

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