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Home > Indoles and Oxindole > 88661-47-6
88661-47-6 | 1H-Isoindole-1,3(2H)-dione, 2-[2-[2-(1-oxobutyl)-1H-indol-3-yl]ethyl]-
CAS No: 88661-47-6 Catalog No: AG0048KZ MDL No:
Product Description
Catalog Number:
AG0048KZ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-[2-(1-oxobutyl)-1H-indol-3-yl]ethyl]-
CAS Number:
88661-47-6
Molecular Formula:
C22H20N2O3
Molecular Weight:
360.4058
IUPAC Name:
2-[2-(2-butanoyl-1H-indol-3-yl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C22H20N2O3/c1-2-7-19(25)20-15(14-8-5-6-11-18(14)23-20)12-13-24-21(26)16-9-3-4-10-17(16)22(24)27/h3-6,8-11,23H,2,7,12-13H2,1H3
InChI Key:
WRCMHDFJWKTDEF-UHFFFAOYSA-N
SMILES:
CCCC(=O)c1[nH]c2c(c1CCN1C(=O)c3c(C1=O)cccc3)cccc2
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.147g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.413g/mol
Monoisotopic Mass:
360.147g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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