CAS: 16002-30-5
- Name:
- Acetic acid, 2,2'-sulfonylbis-, 1,1'-dimethyl ester
- Cas No.:
- 16002-30-5
- Molecular Structure:
-
- EINECS(EC#):
- Molecular Formula:
- C6H10O6S
- Molecular Weight:
- 210.208
- Synonyms:
- Dimethyl 2,2'-sulfonyldiacetate;Methyl 2-(2-methoxy-2-oxoethyl)sulfonylacetate;
- Appearance:
- mp :
- bp :
- 368.5 °C at 760 mmHg
- Flash Point:
- 176.7 °C
- Density:
- 1.351 g/cm3
- Water Solubility :
Risk Codes:
Safety:
RTECS :
DG0875000
The Acetic acid, 2,2'-sulfonylbis-, 1,1'-dimethyl ester, with the CAS registry number 16002-30-5, is also known as Methyl 2-(2-methoxy-2-oxoethyl)sulfonylacetate. This chemical's molecular formula is C6H10O6S and molecular weight is 210.21. What's more, its systematic name is dimethyl 2,2'-sulfonyldiacetate.
Physical properties of Acetic acid, 2,2'-sulfonylbis-, 1,1'-dimethyl ester are: (1)ACD/LogP: 0.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 95.12 Å2; (7)Index of Refraction: 1.456; (8)Molar Refractivity: 42.35 cm3; (9)Molar Volume: 155.5 cm3; (10)Polarizability: 16.79×10-24cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.351 g/cm3; (13)Flash Point: 176.7 °C; (14)Enthalpy of Vaporization: 61.52 kJ/mol; (15)Boiling Point: 368.5 °C at 760 mmHg; (16)Vapour Pressure: 1.27E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CS(=O)(=O)CC(=O)OC
(2)InChI: InChI=1S/C6H10O6S/c1-11-5(7)3-13(9,10)4-6(8)12-2/h3-4H2,1-2H3
(3)InChIKey: XWPWFILACZRQRM-UHFFFAOYSA-N
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