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Home > Indoles and Oxindole > 67393-58-2
67393-58-2 | 1H-Isoindole-1,3(2H)-dione, 2-(2E)-2-butenyl-
CAS No: 67393-58-2 Catalog No: AG005OQI MDL No:
Product Description
Catalog Number:
AG005OQI
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2E)-2-butenyl-
CAS Number:
67393-58-2
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
2-but-2-enylisoindole-1,3-dione
InChI:
InChI=1S/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2-7H,8H2,1H3
InChI Key:
PMUYLAJCELXRCO-UHFFFAOYSA-N
SMILES:
C/C=C/CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| N-crotylphthalimide. | Acta crystallographica. Section E, Structure reports online 20101201 |
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