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Home > Indoles and Oxindole > 95832-83-0
95832-83-0 | 2H-Isoindole-4,7-dione, 2-methyl-
CAS No: 95832-83-0 Catalog No: AG006AS5 MDL No:
Product Description
Catalog Number:
AG006AS5
Chemical Name:
2H-Isoindole-4,7-dione, 2-methyl-
CAS Number:
95832-83-0
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
IUPAC Name:
2-methylisoindole-4,7-dione
InChI:
InChI=1S/C9H7NO2/c1-10-4-6-7(5-10)9(12)3-2-8(6)11/h2-5H,1H3
InChI Key:
LLQVBRAPPFXECE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1cn(c2)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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