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Home > Indoles and Oxindole > 66653-94-9
66653-94-9 | 1H-Isoindole-1,3(2H)-dione, 2,5,6-trimethyl-
CAS No: 66653-94-9 Catalog No: AG00H7N9 MDL No:
Product Description
Catalog Number:
AG00H7N9
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,5,6-trimethyl-
CAS Number:
66653-94-9
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
2,5,6-trimethylisoindole-1,3-dione
InChI:
InChI=1S/C11H11NO2/c1-6-4-8-9(5-7(6)2)11(14)12(3)10(8)13/h4-5H,1-3H3
InChI Key:
NMMGREKCMVRFTJ-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)cc(c(c2)C)C
Properties
Complexity:
259
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:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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