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Home > Indoles and Oxindole > 304-17-6
304-17-6 | 1H-Isoindole-1,3(2H)-dione, 2-(1-methylethyl)-
CAS No: 304-17-6 Catalog No: AG003007 MDL No:MFCD00014582
Product Description
Catalog Number:
AG003007
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1-methylethyl)-
CAS Number:
304-17-6
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00014582
IUPAC Name:
2-propan-2-ylisoindole-1,3-dione
InChI:
InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3
InChI Key:
VPLDXHDOGVIETL-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)cccc2)C
EC Number:
206-150-5
UNII:
1J1MM83329
NSC Number:
406141
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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