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113814-51-0 | Benzenesulfonic acid, sulfonylbis[hydroxy- (9CI)
CAS No: 113814-51-0 Catalog No: AG0009R6 MDL No:
Product Description
Catalog Number:
AG0009R6
Chemical Name:
Benzenesulfonic acid, sulfonylbis[hydroxy- (9CI)
CAS Number:
113814-51-0
Molecular Formula:
C12H10O10S3
Molecular Weight:
410.3968
IUPAC Name:
3-hydroxy-2-(2-hydroxy-6-sulfophenyl)sulfonylbenzenesulfonic acid
InChI:
InChI=1S/C12H10O10S3/c13-7-3-1-5-9(24(17,18)19)11(7)23(15,16)12-8(14)4-2-6-10(12)25(20,21)22/h1-6,13-14H,(H,17,18,19)(H,20,21,22)
InChI Key:
HHUVGXDRJBOFDM-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1S(=O)(=O)c1c(O)cccc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.944g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
410.382g/mol
Monoisotopic Mass:
409.944g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
209A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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