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Home > Indoles and Oxindole > 885-07-4
885-07-4 | 2-methyl-1h-benzo[e]isoindole-1,3(2h)-dione
CAS No: 885-07-4 Catalog No: AG0048NA MDL No:
Product Description
Catalog Number:
AG0048NA
Chemical Name:
2-methyl-1h-benzo[e]isoindole-1,3(2h)-dione
CAS Number:
885-07-4
Molecular Formula:
C13H9NO2
Molecular Weight:
211.2161
IUPAC Name:
2-methylbenzo[e]isoindole-1,3-dione
InChI:
InChI=1S/C13H9NO2/c1-14-12(15)10-7-6-8-4-2-3-5-9(8)11(10)13(14)16/h2-7H,1H3
InChI Key:
JVTIUKODBFHDLP-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)c1ccccc1cc2
Properties
Complexity:
339
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:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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