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Home > Nitro Compounds > 71735-35-8
71735-35-8 | 1-Naphthalenesulfonicacid, 4-hydroxy-3-nitro-
CAS No: 71735-35-8 Catalog No: AG005FMG MDL No:
Product Description
Catalog Number:
AG005FMG
Chemical Name:
1-Naphthalenesulfonicacid, 4-hydroxy-3-nitro-
CAS Number:
71735-35-8
Molecular Formula:
C10H7NO6S
Molecular Weight:
269.2307
IUPAC Name:
4-hydroxy-3-nitronaphthalene-1-sulfonic acid
InChI:
InChI=1S/C10H7NO6S/c12-10-7-4-2-1-3-6(7)9(18(15,16)17)5-8(10)11(13)14/h1-5,12H,(H,15,16,17)
InChI Key:
XSXPMEFGYQQBHC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c2c(c1O)cccc2)S(=O)(=O)O
EC Number:
275-947-8
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.999g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.227g/mol
Monoisotopic Mass:
268.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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