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117-22-6 | 1-Naphthalenesulfonic acid, 8-hydroxy-
CAS No: 117-22-6 Catalog No: AG000DHQ MDL No:MFCD00065328
Product Description
Catalog Number:
AG000DHQ
Chemical Name:
1-Naphthalenesulfonic acid, 8-hydroxy-
CAS Number:
117-22-6
Molecular Formula:
C10H8O4S
Molecular Weight:
224.2331
MDL Number:
MFCD00065328
IUPAC Name:
8-hydroxynaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H8O4S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6,11H,(H,12,13,14)
InChI Key:
ZPLBZGGKAUXTRT-UHFFFAOYSA-N
SMILES:
Oc1cccc2c1c(ccc2)S(=O)(=O)O
EC Number:
204-180-3
NSC Number:
8626
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.23g/mol
Monoisotopic Mass:
224.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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