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Home > Indoles and Oxindole > 83665-33-2
83665-33-2 | 1H-Isoindole-1,3(2H)-dione, 2-(4-ethylphenyl)-
CAS No: 83665-33-2 Catalog No: AG004TKX MDL No:
Product Description
Catalog Number:
AG004TKX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-ethylphenyl)-
CAS Number:
83665-33-2
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
2-(4-ethylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H13NO2/c1-2-11-7-9-12(10-8-11)17-15(18)13-5-3-4-6-14(13)16(17)19/h3-10H,2H2,1H3
InChI Key:
RJTMOIDRHLTIGC-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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