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138574-86-4 | 1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-
CAS No: 138574-86-4 Catalog No: AG0018RZ MDL No:
Product Description
Catalog Number:
AG0018RZ
Chemical Name:
1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5-sulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-
CAS Number:
138574-86-4
Molecular Formula:
C16H10N2O11S3
Molecular Weight:
502.4524
IUPAC Name:
3-hydroxy-2-(3-oxo-5-sulfoindol-2-yl)-1H-indole-5,7-disulfonic acid
InChI:
InChI=1S/C16H10N2O11S3/c19-15-8-3-6(30(21,22)23)1-2-10(8)17-13(15)14-16(20)9-4-7(31(24,25)26)5-11(12(9)18-14)32(27,28)29/h1-5,18,20H,(H,21,22,23)(H,24,25,26)(H,27,28,29)
InChI Key:
NFYQSNJGHMJTRQ-UHFFFAOYSA-N
SMILES:
O=C1c2cc(ccc2NC1=C1Nc2c(C1=O)cc(cc2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
UNII:
PXA47WWU4X
Properties
Complexity:
1150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.945g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
502.439g/mol
Monoisotopic Mass:
501.945g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
254A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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