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Home > Indoles and Oxindole > 125313-53-3
125313-53-3 | 2H-Pyrrol-2-one, 1,5-dihydro-5-hydroxy-3,4-di-1H-indol-3-yl-
CAS No: 125313-53-3 Catalog No: AG000NHL MDL No:
Product Description
Catalog Number:
AG000NHL
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-5-hydroxy-3,4-di-1H-indol-3-yl-
CAS Number:
125313-53-3
Molecular Formula:
C20H15N3O2
Molecular Weight:
329.3520
IUPAC Name:
2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
InChI:
InChI=1S/C20H15N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,19,21-22,24H,(H,23,25)
InChI Key:
MTKKHFBXXUZIDC-UHFFFAOYSA-N
SMILES:
OC1NC(=O)C(=C1c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
329.359g/mol
Monoisotopic Mass:
329.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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