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76877-41-3 | 2,7-Naphthalenedisulfonic acid, 4,4'-azobis[3-hydroxy-
CAS No: 76877-41-3 Catalog No: AG005HHN MDL No:
Product Description
Catalog Number:
AG005HHN
Chemical Name:
2,7-Naphthalenedisulfonic acid, 4,4'-azobis[3-hydroxy-
CAS Number:
76877-41-3
Molecular Formula:
C20H14N2O14S4
Molecular Weight:
634.5902
IUPAC Name:
3-hydroxy-4-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
InChI:
InChI=1S/C20H14N2O14S4/c23-19-15(39(31,32)33)7-9-5-11(37(25,26)27)1-3-13(9)17(19)21-22-18-14-4-2-12(38(28,29)30)6-10(14)8-16(20(18)24)40(34,35)36/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)
InChI Key:
ZHACZGMWBSRPKU-UHFFFAOYSA-N
SMILES:
Oc1c(N=Nc2c3ccc(cc3cc(c2O)S(=O)(=O)O)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
Properties
Complexity:
1300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
633.933g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
634.572g/mol
Monoisotopic Mass:
633.933g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
316A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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