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126150-65-0 | 1,4-Benzenediol, 1,4-dimethanesulfonate
CAS No: 126150-65-0 Catalog No: AG000RTR MDL No:
Product Description
Catalog Number:
AG000RTR
Chemical Name:
1,4-Benzenediol, 1,4-dimethanesulfonate
CAS Number:
126150-65-0
Molecular Formula:
C8H10O6S2
Molecular Weight:
266.2914
IUPAC Name:
benzene-1,4-diol;methanesulfonic acid
InChI:
InChI=1S/C6H6O2.2CH4O3S/c7-5-1-2-6(8)4-3-5;2*1-5(2,3)4/h1-4,7-8H;2*1H3,(H,2,3,4)
InChI Key:
AAKBGPWEPYJQHC-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)Oc1ccc(cc1)OS(=O)(=O)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
302.312g/mol
Monoisotopic Mass:
302.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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