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689-16-7

689-16-7 | 1,3-Propanedisulfonic acid, 2-oxo-, dimethyl ester

CAS No: 689-16-7 Catalog No: AG006FV2 MDL No:

Product Description

Catalog Number:
AG006FV2
Chemical Name:
1,3-Propanedisulfonic acid, 2-oxo-, dimethyl ester
CAS Number:
689-16-7
Molecular Formula:
C5H10O7S2
Molecular Weight:
246.2587
IUPAC Name:
dimethyl 2-oxopropane-1,3-disulfonate
InChI:
InChI=1S/C5H10O7S2/c1-11-13(7,8)3-5(6)4-14(9,10)12-2/h3-4H2,1-2H3
InChI Key:
QRLHGYSWLXZWKE-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)CC(=O)CS(=O)(=O)OC

Properties

Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.987g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.248g/mol
Monoisotopic Mass:
245.987g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  

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