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101721-50-0 | 1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-2,5-dimethoxyphenyl)diazenyl]-
CAS No: 101721-50-0 Catalog No: AG0005B1 MDL No:
Product Description
Catalog Number:
AG0005B1
Chemical Name:
1,5-Naphthalenedisulfonic acid, 3-[2-(4-amino-2,5-dimethoxyphenyl)diazenyl]-
CAS Number:
101721-50-0
Molecular Formula:
C18H17N3O8S2
Molecular Weight:
467.4729
IUPAC Name:
3-[(4-amino-2,5-dimethoxyphenyl)diazenyl]naphthalene-1,5-disulfonic acid
InChI:
InChI=1S/C18H17N3O8S2/c1-28-15-9-14(16(29-2)8-13(15)19)21-20-10-6-12-11(18(7-10)31(25,26)27)4-3-5-17(12)30(22,23)24/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)
InChI Key:
PYXDYQPKMMAGNB-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1N=Nc1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O)OC
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.046g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
467.467g/mol
Monoisotopic Mass:
467.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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