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Home > Indoles and Oxindole > 1128-44-5
1128-44-5 | 4-Methylindoline-2,3-dione
CAS No: 1128-44-5 Catalog No: AG003LS5 MDL No:MFCD00463404
Product Description
Catalog Number:
AG003LS5
Chemical Name:
4-Methylindoline-2,3-dione
CAS Number:
1128-44-5
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00463404
IUPAC Name:
4-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)8(11)9(12)10-6/h2-4H,1H3,(H,10,11,12)
InChI Key:
KDICASSDSSYKMK-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1=O)c(C)ccc2
Properties
Complexity:
237
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:
1
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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