2-Furanbutanoic acid, a,g-dioxo-, methyl ester supplier

Name
METHYL 2,4-DIOXO-4-(2-FURYL)-4-YLBUTANOATE
EINECS
CAS No. 374063-90-8
Article Data5
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₉H₈O₅
Boiling Point 329.9 °C at 760 mmHg
Molecular Weight 196.16
Flash Point 153.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi; F
Synonyms methyl 4-furan-2-yl-2,4-dioxobutanoate;4-Furan-2-yl-2,4-dioxo-butyric acid methyl ester;2-Furanbutanoic acid, α,γ-dioxo-, methyl ester;Methyl-4-(2-furyl)-2,4-dioxobutanoat;
PSA 73.58000
LogP 0.59450

2-Furanbutanoic acid, a,g-dioxo-, methyl ester Specification

The 2-Furanbutanoic acid, a,g-dioxo-, methyl ester, with the CAS registry number 374063-90-8, has the systematic name of methyl 4-furan-2-yl-2,4-dioxobutanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₈O₅.

The characteristics of 2-Furanbutanoic acid, a,g-dioxo-, methyl ester are as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.32; (4)ACD/LogD (pH 7.4): -1.69; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 73.58 Å²; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 44.28 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 17.55×10^-24cm³; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 153.3 °C; (20)Enthalpy of Vaporization: 57.25 kJ/mol; (21)Boiling Point: 329.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000172 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1occc1)CC(=O)C(=O)OC
(2)InChI: InChI=1/C9H8O5/c1-13-9(12)7(11)5-6(10)8-3-2-4-14-8/h2-4H,5H2,1H3
(3)InChIKey: LVRDBRKWPFVTRN-UHFFFAOYAF

Product Name

METHYL 2,4-DIOXO-4-(2-FURYL)-4-YLBUTANOATE

2-Furanbutanoic acid, a,g-dioxo-, methyl ester Specification

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