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Home > Nitro Compounds > 31005-99-9
31005-99-9 | 2-Naphthalenesulfonic acid, 7-hydroxy-8-nitroso-
CAS No: 31005-99-9 Catalog No: AG0031XG MDL No:
Product Description
Catalog Number:
AG0031XG
Chemical Name:
2-Naphthalenesulfonic acid, 7-hydroxy-8-nitroso-
CAS Number:
31005-99-9
Molecular Formula:
C10H7NO5S
Molecular Weight:
253.2313
IUPAC Name:
7-hydroxy-8-nitrosonaphthalene-2-sulfonic acid
InChI:
InChI=1S/C10H7NO5S/c12-9-4-2-6-1-3-7(17(14,15)16)5-8(6)10(9)11-13/h1-5,12H,(H,14,15,16)
InChI Key:
RDHHJSBBNIQNDZ-UHFFFAOYSA-N
SMILES:
O=Nc1c(O)ccc2c1cc(cc2)S(=O)(=O)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.228g/mol
Monoisotopic Mass:
253.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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