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2592-14-5 | Benzenesulfonic acid, 4-amino-3-hydroxy-
CAS No: 2592-14-5 Catalog No: AG002R27 MDL No:MFCD14560533
Product Description
Catalog Number:
AG002R27
Chemical Name:
Benzenesulfonic acid, 4-amino-3-hydroxy-
CAS Number:
2592-14-5
Molecular Formula:
C6H7NO4S
Molecular Weight:
189.1891
MDL Number:
MFCD14560533
IUPAC Name:
4-amino-3-hydroxybenzenesulfonic acid
InChI:
InChI=1S/C6H7NO4S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3,8H,7H2,(H,9,10,11)
InChI Key:
HCEYSAVOFADVMD-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1O)S(=O)(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
189.185g/mol
Monoisotopic Mass:
189.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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