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125629-19-8 | 1,2-Benzenediol, 3,5-bis(methylsulfonyl)-
CAS No: 125629-19-8 Catalog No: AG000NZL MDL No:
Product Description
Catalog Number:
AG000NZL
Chemical Name:
1,2-Benzenediol, 3,5-bis(methylsulfonyl)-
CAS Number:
125629-19-8
Molecular Formula:
C8H10O6S2
Molecular Weight:
266.2914
IUPAC Name:
3,5-bis(methylsulfonyl)benzene-1,2-diol
InChI:
InChI=1S/C8H10O6S2/c1-15(11,12)5-3-6(9)8(10)7(4-5)16(2,13)14/h3-4,9-10H,1-2H3
InChI Key:
MCRNEKQTLQYVFD-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1O)S(=O)(=O)C)S(=O)(=O)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
266.282g/mol
Monoisotopic Mass:
265.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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