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Home > Indoles and Oxindole > 15540-88-2
15540-88-2 | 1H-Isoindole-1,3(2H)-dione, 4,7-dimethyl-
CAS No: 15540-88-2 Catalog No: AG001NW0 MDL No:
Product Description
Catalog Number:
AG001NW0
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 4,7-dimethyl-
CAS Number:
15540-88-2
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
4,7-dimethylisoindole-1,3-dione
InChI:
InChI=1S/C10H9NO2/c1-5-3-4-6(2)8-7(5)9(12)11-10(8)13/h3-4H,1-2H3,(H,11,12,13)
InChI Key:
KQLNDLDZXKJABP-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1c(C)ccc2C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.063g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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