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Home > Indoles and Oxindole > 79552-57-1
79552-57-1 | 1H-Indole-2,3-dione, 5-methoxy-1-(2-oxopropyl)-
CAS No: 79552-57-1 Catalog No: AG005JBU MDL No:
Product Description
Catalog Number:
AG005JBU
Chemical Name:
1H-Indole-2,3-dione, 5-methoxy-1-(2-oxopropyl)-
CAS Number:
79552-57-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
5-methoxy-1-(2-oxopropyl)indole-2,3-dione
InChI:
InChI=1S/C12H11NO4/c1-7(14)6-13-10-4-3-8(17-2)5-9(10)11(15)12(13)16/h3-5H,6H2,1-2H3
InChI Key:
GEYULVAYWUEEDT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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