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119560-07-5 | Benzenedisulfonic acid, phenoxy-
CAS No: 119560-07-5 Catalog No: AG000IY9 MDL No:
Product Description
Catalog Number:
AG000IY9
Chemical Name:
Benzenedisulfonic acid, phenoxy-
CAS Number:
119560-07-5
Molecular Formula:
C12H10O7S2
Molecular Weight:
330.3336
IUPAC Name:
3-phenoxybenzene-1,2-disulfonic acid
InChI:
InChI=1S/C12H10O7S2/c13-20(14,15)11-8-4-7-10(12(11)21(16,17)18)19-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)(H,16,17,18)
InChI Key:
NHWJLCJXIBETKO-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)c1c(cccc1S(=O)(=O)O)Oc1ccccc1
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.987g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.325g/mol
Monoisotopic Mass:
329.987g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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