CAS No.133-47-1,methyl (Z)-3,4-dihydroxy-4-methoxy-2-oxo-but-3-enoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133-47-1
Name:	methyl (Z)-3,4-dihydroxy-4-methoxy-2-oxo-but-3-enoate
Article Data:	9

Formula:	C₆H₈O₆
Molecular Weight:	176.12
Synonyms:	2-Butenedioicacid, 2,3-dihydroxy-, dimethyl ester, (2E)- (9CI);2-Butenedioic acid,2,3-dihydroxy-, dimethyl ester, (E)-;Fumaric acid, dihydroxy-, dimethyl ester(7CI,8CI);Dimethyl dihydroxyfumarate;
Density:	1.434 g/cm³
Boiling Point:	272.1 °C at 760 mmHg
Flash Point:	110.8 °C
PSA:	93.06000
LogP:	-0.34000

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Specification

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 C₆H₈O₆and 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: 71.06Å²; (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:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	8gm/kg (8000mg/kg)		Bollettino Chimico Farmaceutico. Vol. 101, Pg. 903, 1962.