2-Furancarboxylic acid, 5-[(acetyloxy)methyl]- supplier

Name
5-ACETOXYMETHYL-2-FURANCARBOXYLIC ACID
EINECS
CAS No. 90345-66-7
Article Data7
CAS DataBase
Density 1.338 g/cm³
Solubility
Melting Point 107-109 ºC
Formula C₈H₈O₅
Boiling Point 314.2 °C at 760 mmHg
Molecular Weight 184.149
Flash Point 143.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Acetoxymethyl-2-furancarboxylic acid;
PSA 76.74000
LogP 1.04090

2-Furancarboxylic acid, 5-[(acetyloxy)methyl]- Specification

The 2-Furancarboxylic acid, 5-[(acetyloxy)methyl]-, with the CAS registry number 90345-66-7, is also known as 5-Acetoxymethyl-2-furancarboxylic acid. It belongs to the product categories of Intermediates & Fine Chemicals; Mutagenesis Research Chemicals; Pharmaceuticals. It is pale yellow solid. This chemical's molecular formula is C₈H₈O₅ and molecular weight is 184.15. What's more, its systematic name is 5-[(Acetyloxy)methyl]furan-2-carboxylic acid.

Physical properties about 2-Furancarboxylic acid, 5-[(acetyloxy)methyl]- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2.78; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.74 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 41.43 cm³; (15)Molar Volume: 137.5 cm³; (16)Polarizability: 16.42×10^-24 cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.338 g/cm³; (19)Flash Point: 143.8 °C; (20)Enthalpy of Vaporization: 58.64 kJ/mol; (21)Boiling Point: 314.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1oc(cc1)C(=O)O)C
(2) InChI: InChI=1/C8H8O5/c1-5(9)12-4-6-2-3-7(13-6)8(10)11/h2-3H,4H2,1H3,(H,10,11)
(3) InChIKey: VEHIMKWMEKVUMD-UHFFFAOYAX

Product Name

5-ACETOXYMETHYL-2-FURANCARBOXYLIC ACID

2-Furancarboxylic acid, 5-[(acetyloxy)methyl]- Specification

Related Products

Hot Products