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Home > Indoles and Oxindole > 137108-08-8
137108-08-8 | 1H-Pyrrole-2,5-dione, 1-hydroxy-3,4-di-1H-indol-3-yl-
CAS No: 137108-08-8 Catalog No: AG007ZTG MDL No:
Product Description
Catalog Number:
AG007ZTG
Chemical Name:
1H-Pyrrole-2,5-dione, 1-hydroxy-3,4-di-1H-indol-3-yl-
CAS Number:
137108-08-8
Molecular Formula:
C20H13N3O3
Molecular Weight:
343.3355
IUPAC Name:
1-hydroxy-3,4-bis(1H-indol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C20H13N3O3/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23(19)26)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22,26H
InChI Key:
STOYHVQKKWVYFE-UHFFFAOYSA-N
SMILES:
O=C1N(O)C(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.342g/mol
Monoisotopic Mass:
343.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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