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120-98-9 | 1,3-Benzenedisulfonic acid, 5-amino-4-hydroxy-
CAS No: 120-98-9 Catalog No: AG000Q19 MDL No:MFCD00035911
Product Description
Catalog Number:
AG000Q19
Chemical Name:
1,3-Benzenedisulfonic acid, 5-amino-4-hydroxy-
CAS Number:
120-98-9
Molecular Formula:
C6H7NO7S2
Molecular Weight:
269.2523
MDL Number:
MFCD00035911
IUPAC Name:
5-amino-4-hydroxybenzene-1,3-disulfonic acid
InChI:
InChI=1S/C6H7NO7S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,8H,7H2,(H,9,10,11)(H,12,13,14)
InChI Key:
HTYRTGGIOAMLRR-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O
EC Number:
204-441-1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.966g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
269.242g/mol
Monoisotopic Mass:
268.966g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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