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Home > Nitro Compounds > 117-86-2
117-86-2 | 1,5-Naphthalenedisulfonic acid, 3-nitro-
CAS No: 117-86-2 Catalog No: AG000DJC MDL No:
Product Description
Catalog Number:
AG000DJC
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3-nitro-
CAS Number:
117-86-2
Molecular Formula:
C10H7NO8S2
Molecular Weight:
333.2945
IUPAC Name:
3-nitronaphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C10H7NO8S2/c12-11(13)6-4-8-7(10(5-6)21(17,18)19)2-1-3-9(8)20(14,15)16/h1-5H,(H,14,15,16)(H,17,18,19)
InChI Key:
YDPFPDNDNZUKPL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O
EC Number:
204-216-8
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.961g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.285g/mol
Monoisotopic Mass:
332.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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