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108053-80-1 | 1H-Indole-2,3-dione, 1,1'-(1,3-propanediyl)bis[5-methyl-
CAS No: 108053-80-1 Catalog No: AG0083YF MDL No:
Product Description
Catalog Number:
AG0083YF
Chemical Name:
1H-Indole-2,3-dione, 1,1'-(1,3-propanediyl)bis[5-methyl-
CAS Number:
108053-80-1
Molecular Formula:
C21H18N2O4
Molecular Weight:
362.3786
IUPAC Name:
5-methyl-1-[3-(5-methyl-2,3-dioxoindol-1-yl)propyl]indole-2,3-dione
InChI:
InChI=1S/C21H18N2O4/c1-12-4-6-16-14(10-12)18(24)20(26)22(16)8-3-9-23-17-7-5-13(2)11-15(17)19(25)21(23)27/h4-7,10-11H,3,8-9H2,1-2H3
InChI Key:
CIGVQTBSHWGKNN-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)C(=O)C(=O)N2CCCN1c2ccc(cc2C(=O)C1=O)C
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.385g/mol
Monoisotopic Mass:
362.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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