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86-61-3 | 1-Naphthalenesulfonicacid, 7-amino-3-hydroxy-
CAS No: 86-61-3 Catalog No: AG004P0K MDL No:
Product Description
Catalog Number:
AG004P0K
Chemical Name:
1-Naphthalenesulfonicacid, 7-amino-3-hydroxy-
CAS Number:
86-61-3
Molecular Formula:
C10H9NO4S
Molecular Weight:
239.2478
IUPAC Name:
7-amino-3-hydroxynaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H9NO4S/c11-7-2-1-6-3-8(12)5-10(9(6)4-7)16(13,14)15/h1-5,12H,11H2,(H,13,14,15)
InChI Key:
NWYPJANFHLUNFH-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(cc(c2)O)S(=O)(=O)O
EC Number:
201-686-6
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
239.245g/mol
Monoisotopic Mass:
239.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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