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113967-52-5 | 1,3-Propanediol, 2-[[(methylsulfonyl)oxy]methyl]-, 1,3-dimethanesulfonate
CAS No: 113967-52-5 Catalog No: AG000A7G MDL No:
Product Description
Catalog Number:
AG000A7G
Chemical Name:
1,3-Propanediol, 2-[[(methylsulfonyl)oxy]methyl]-, 1,3-dimethanesulfonate
CAS Number:
113967-52-5
Molecular Formula:
C7H16O9S3
Molecular Weight:
340.3915
IUPAC Name:
[3-hydroxy-2-(hydroxymethyl)propyl] methanesulfonate;methanesulfonic acid
InChI:
InChI=1S/C5H12O5S.2CH4O3S/c1-11(8,9)10-4-5(2-6)3-7;2*1-5(2,3)4/h5-7H,2-4H2,1H3;2*1H3,(H,2,3,4)
InChI Key:
BYUWAVLBDIHWJO-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCC(COS(=O)(=O)C)COS(=O)(=O)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
376.406g/mol
Monoisotopic Mass:
376.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
218A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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