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Home > Indoles and Oxindole > 135737-91-6
135737-91-6 | 2H-Isoindole-4,7-dione, 2,5-dimethyl-
CAS No: 135737-91-6 Catalog No: AG0072HI MDL No:
Product Description
Catalog Number:
AG0072HI
Chemical Name:
2H-Isoindole-4,7-dione, 2,5-dimethyl-
CAS Number:
135737-91-6
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
IUPAC Name:
2,5-dimethylisoindole-4,7-dione
InChI:
InChI=1S/C10H9NO2/c1-6-3-9(12)7-4-11(2)5-8(7)10(6)13/h3-5H,1-2H3
InChI Key:
RMTHAXROAIYJCY-UHFFFAOYSA-N
SMILES:
Cn1cc2c(c1)C(=O)C=C(C2=O)C
Properties
Complexity:
306
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:
0
Isotope Atom Count:
0
Molecular Weight:
175.187g/mol
Monoisotopic Mass:
175.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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