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113669-58-2 | 1,2-Octanedisulfonic acid
CAS No: 113669-58-2 Catalog No: AG00099K MDL No:
Product Description
Catalog Number:
AG00099K
Chemical Name:
1,2-Octanedisulfonic acid
CAS Number:
113669-58-2
Molecular Formula:
C8H18O6S2
Molecular Weight:
274.3549
IUPAC Name:
octane-1,2-disulfonic acid
InChI:
InChI=1S/C8H18O6S2/c1-2-3-4-5-6-8(16(12,13)14)7-15(9,10)11/h8H,2-7H2,1H3,(H,9,10,11)(H,12,13,14)
InChI Key:
QZQALQWPHXLKSP-UHFFFAOYSA-N
SMILES:
CCCCCCC(S(=O)(=O)O)CS(=O)(=O)O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.346g/mol
Monoisotopic Mass:
274.054g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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