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116680-42-3 | 1,5-Naphthalenedisulfonic acid, 2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CAS No: 116680-42-3 Catalog No: AG000CZ4 MDL No:
Product Description
Catalog Number:
AG000CZ4
Chemical Name:
1,5-Naphthalenedisulfonic acid, 2-[2-(2-hydroxy-1-naphthalenyl)diazenyl]-
CAS Number:
116680-42-3
Molecular Formula:
C20H14N2O7S2
Molecular Weight:
458.4644
IUPAC Name:
2-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C20H14N2O7S2/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26/h1-11,23H,(H,24,25,26)(H,27,28,29)
InChI Key:
MILBUOZMHFETOE-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1N=Nc1ccc3c(c1S(=O)(=O)O)cccc3S(=O)(=O)O)cccc2
Properties
Complexity:
880
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.024g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
458.459g/mol
Monoisotopic Mass:
458.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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