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631-23-2

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Basic Information
CAS No.: 631-23-2
Name: Diethyl bis(hydroxymetyl)malonate
Article Data: 5
Molecular Structure:
Molecular Structure of 631-23-2 (Diethyl bis(hydroxymetyl)malonate)
Formula: C7H12O6
Molecular Weight: 192.169
Synonyms: Propanedioicacid, dihydroxy-, diethyl ester (9CI);
Density: 1.229 g/cm3
Boiling Point: 351.3 °C at 760 mmHg
Flash Point: 134.5 °C
PSA: 93.06000
LogP: -0.91640
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Specification

The 2,2-Dihydroxypropanedioic acid 1,3-diethyl ester with its cas register number is 631-23-2. It also can be called as Propanedioic acid,2,2-dihydroxy-, 1,3-diethyl ester and the Systematic name about this chemical is diethyl bis(hydroxymethyl)propanedioate.

Physical properties about 2,2-Dihydroxypropanedioic acid 1,3-diethyl ester are: (1)ACD/LogP: -0.39; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 71.06Å2; (6)Index of Refraction: 1.473; (7)Molar Refractivity: 50.32 cm3; (8)Molar Volume: 179.1 cm3; (9)Polarizability: 19.95x10-24cm3; (10)Surface Tension: 46.6 dyne/cm; (11)Enthalpy of Vaporization: 69.01 kJ/mol; (12)Vapour Pressure: 2.45E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)(CO)CO
(2)InChI: InChI=1/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
(3)InChIKey: WIOHBOKEUIHYIC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H16O6/c1-3-14-7(12)9(5-10,6-11)8(13)15-4-2/h10-11H,3-6H2,1-2H3
(5)Std. InChIKey: WIOHBOKEUIHYIC-UHFFFAOYSA-N