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1 Gram |
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Glycolicacid, ethylene ester, dimethanesulfonate (8CI) 5457-47-6 98%
【Name】
Glycolicacid, ethylene ester, dimethanesulfonate (8CI)
【CAS Registry number】
5457-47-6
【Synonyms】
NSC24899
【Molecular Formula】
C8H14 O10 S2 (Products with the same molecular formula)
【Molecular Weight】
334.3208
【Inchi】
InChI=1/C8H14O10S2/c1-19(11,12)17-5-7(9)15-3-4-16-8(10)6-18-20(2,13)14/h3-6H2,1-2H3
【Canonical SMILES】
CS(=O)(=O)OCC(=O)OCCOC(=O)COS(=O)(=O)C
Chemical and Physical Properties
【Density】
1.503g/cm3
【Boiling Point】
558.3°Cat760mmHg
【Refractive Index】
1.486
【Flash Point】
291.5°C
【Computed Properties】
Molecular Weight:334.32076 [g/mol]
Molecular Formula:C8H14O10S2
XLogP3-AA:-1.1
H-Bond Donor:0
H-Bond Acceptor:10
Rotatable Bond Count:11
Exact Mass:334.002838
MonoIsotopic Mass:334.002838
Topological Polar Surface Area:156
Heavy Atom Count:20
Formal Charge:0
Complexity:471
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Effective Rotor Count:11
Conformer Sampling RMSD:1
CID Conformer Count:127
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