2-Butenedioic acid,2,3-dihydroxy-, 1,4-dimethyl ester, (2E)- (133-47-1)

The CAS register number of Dimethyl dihydroxyfumarate is 133-47-1. It also can be called as (E)-2,3-Dihydroxy-2-butenedioic acid dimethyl ester and the IUPAC name about this chemical is methyl (Z)-3,4-dihydroxy-4-methoxy-2-oxobut-3-enoate. The molecular formula about this chemical is C₆H₈O₆ and the molecular weight is 176.12. Classification code about this chemical is Drug / Therapeutic Agent.

Physical properties about Dimethyl dihydroxyfumarate are: (1)ACD/LogP: -1.24; (2)ACD/LogD (pH 5.5): -1.24; (3)ACD/LogD (pH 7.4): -1.24; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.04; (7)ACD/KOC (pH 7.4): 5; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 71.06Ų; (12)Index of Refraction: 1.501; (13)Molar Refractivity: 36.2 cm³; (14)Molar Volume: 122.7 cm³; (15)Polarizability: 14.35x10^-24cm³; (16)Surface Tension: 54.3 dyne/cm; (17)Enthalpy of Vaporization: 59.26 kJ/mol; (18)Boiling Point: 272.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000803 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(\O)=C(/O)OC)C(=O)OC
(2)InChI: InChI=1/C6H8O6/c1-11-5(9)3(7)4(8)6(10)12-2/h7,9H,1-2H3/b5-3-
(3)InChIKey: ZOZWASZVLCLLAV-HYXAFXHYBB
(4)Std. InChI: InChI=1S/C6H8O6/c1-11-5(9)3(7)4(8)6(10)12-2/h7,9H,1-2H3/b5-3-
(5)Std. InChIKey: ZOZWASZVLCLLAV-HYXAFXHYSA-N

The toxicity data is as follows: