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Home > Indoles and Oxindole > 28286-71-7
28286-71-7 | [2,2'-Bi-1H-indole]-5,5'-disulfonicacid, 3,3'-dihydroxy-
CAS No: 28286-71-7 Catalog No: AG007L01 MDL No:
Product Description
Catalog Number:
AG007L01
Chemical Name:
[2,2'-Bi-1H-indole]-5,5'-disulfonicacid, 3,3'-dihydroxy-
CAS Number:
28286-71-7
Molecular Formula:
C16H12N2O8S2
Molecular Weight:
424.4051
IUPAC Name:
3-hydroxy-2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-1H-indole-5-sulfonic acid
InChI:
InChI=1S/C16H12N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-20H,(H,21,22,23)(H,24,25,26)
InChI Key:
OXJBWODAZWWGTP-UHFFFAOYSA-N
SMILES:
Oc1c([nH]c2c1cc(cc2)S(=O)(=O)O)c1[nH]c2c(c1O)cc(cc2)S(=O)(=O)O
Properties
Complexity:
740
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.004g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
424.398g/mol
Monoisotopic Mass:
424.004g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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