CAS No.7554-28-1,D-(+)-Malic acid diethyl ester Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7554-28-1
Name:	D-(+)-Malic acid diethyl ester
Article Data:	29

Formula:	C₈H₁₄O₅
Molecular Weight:	190.196
Synonyms:	Butanedioic acid, hydroxy-, diethyl ester, (R)-;
EINECS:	231-445-0
Density:	1.149 g/cm³
Boiling Point:	281.6 °C at 760 mmHg
Flash Point:	85 °C
PSA:	72.83000
LogP:	-0.13640

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Specification

The CAS register number of D-(+)-Malic acid diethyl ester is 7554-28-1. It also can be called as Butanedioic acid, hydroxy-, diethyl ester, (R)- and the systematic name about this chemical is diethyl (2R)-2-hydroxybutanedioate. The molecular formula about this chemical is C₈H₁₄O₅and the molecular weight is 190.19. It belongs to the following product categories which include Chiral Building Blocks; Esters (Chiral); Synthetic Organic Chemistry and so on.

Physical properties about D-(+)-Malic acid diethyl ester are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.89; (7)ACD/KOC (pH 7.4): 31.89; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 61.83Å²; (12)Index of Refraction: 1.446; (13)Molar Refractivity: 44.15 cm³; (14)Molar Volume: 165.4 cm³; (15)Polarizability: 17.5x10^-24cm³; (16)Surface Tension: 39.2 dyne/cm; (17)Enthalpy of Vaporization: 60.41 kJ/mol; (18)Boiling Point: 281.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000417 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C[C@@H](O)C(=O)OCC
(2)InChI: InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
(3)InChIKey: VKNUORWMCINMRB-ZCFIWIBFBS
(4)Std. InChI: InChI=1S/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3/t6-/m1/s1
(5)Std. InChIKey: VKNUORWMCINMRB-ZCFIWIBFSA-N