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Home > Indoles and Oxindole > 1128-47-8
1128-47-8 | 6-Methylindoline-2,3-dione
CAS No: 1128-47-8 Catalog No: AG003NAT MDL No:MFCD01718832
Product Description
Catalog Number:
AG003NAT
Chemical Name:
6-Methylindoline-2,3-dione
CAS Number:
1128-47-8
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD01718832
IUPAC Name:
6-methyl-1H-indole-2,3-dione
InChI:
InChI=1S/C9H7NO2/c1-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChI Key:
VFJUMJDSHGVFAH-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)NC(=O)C2=O
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:
1.2
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