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74408-25-6 | 2H-Benz[f]isoindole-4,9-dione, 2-methyl-
CAS No: 74408-25-6 Catalog No: AG005BO8 MDL No:
Product Description
Catalog Number:
AG005BO8
Chemical Name:
2H-Benz[f]isoindole-4,9-dione, 2-methyl-
CAS Number:
74408-25-6
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
2-methylbenzo[f]isoindole-4,9-dione
InChI:
InChI=1S/C13H9NO2/c1-14-6-10-11(7-14)13(16)9-5-3-2-4-8(9)12(10)15/h2-7H,1H3
InChI Key:
YDSAJDFJFOJDDK-UHFFFAOYSA-N
SMILES:
Cn1cc2c(c1)C(=O)c1c(C2=O)cccc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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