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116242-66-1 | Phenol, bis[(hydroxyphenyl)sulfonyl]-
CAS No: 116242-66-1 Catalog No: AG000C1O MDL No:
Product Description
Catalog Number:
AG000C1O
Chemical Name:
Phenol, bis[(hydroxyphenyl)sulfonyl]-
CAS Number:
116242-66-1
Molecular Formula:
C18H14O7S2
Molecular Weight:
406.4296
IUPAC Name:
2,3-bis[(2-hydroxyphenyl)sulfonyl]phenol
InChI:
InChI=1S/C18H14O7S2/c19-12-6-1-3-9-15(12)26(22,23)17-11-5-8-14(21)18(17)27(24,25)16-10-4-2-7-13(16)20/h1-11,19-21H
InChI Key:
ZQYXWUMCCLPLLS-UHFFFAOYSA-N
SMILES:
Oc1ccccc1S(=O)(=O)c1cccc(c1S(=O)(=O)c1ccccc1O)O
Properties
Complexity:
707
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.018g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.423g/mol
Monoisotopic Mass:
406.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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