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Home > Indoles and Oxindole > 149980-68-7
149980-68-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(2,3,3-trimethyl-3H-indol-5-yl)methyl]-
CAS No: 149980-68-7 Catalog No: AG001M6P MDL No:
Product Description
Catalog Number:
AG001M6P
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2,3,3-trimethyl-3H-indol-5-yl)methyl]-
CAS Number:
149980-68-7
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
IUPAC Name:
2-[(2,3,3-trimethylindol-5-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C20H18N2O2/c1-12-20(2,3)16-10-13(8-9-17(16)21-12)11-22-18(23)14-6-4-5-7-15(14)19(22)24/h4-10H,11H2,1-3H3
InChI Key:
JFYCOHKLACJNBY-UHFFFAOYSA-N
SMILES:
CC1=Nc2c(C1(C)C)cc(cc2)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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