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Home > Indoles and Oxindole > 125313-72-6
125313-72-6 | 1H-Pyrrole-2,5-dione, 3,4-bis(1-methyl-1H-indol-3-yl)-
CAS No: 125313-72-6 Catalog No: AG000NHJ MDL No:
Product Description
Catalog Number:
AG000NHJ
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-bis(1-methyl-1H-indol-3-yl)-
CAS Number:
125313-72-6
Molecular Formula:
C22H17N3O2
Molecular Weight:
355.3893
IUPAC Name:
3,4-bis(1-methylindol-3-yl)pyrrole-2,5-dione
InChI:
InChI=1S/C22H17N3O2/c1-24-11-15(13-7-3-5-9-17(13)24)19-20(22(27)23-21(19)26)16-12-25(2)18-10-6-4-8-14(16)18/h3-12H,1-2H3,(H,23,26,27)
InChI Key:
DWLMLPCWSGBXMZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C)c1cn(c2c1cccc2)C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.397g/mol
Monoisotopic Mass:
355.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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