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Home > Indoles and Oxindole > 74588-94-6
74588-94-6 | 1H-Indole-2,3-dione, 5-methoxy-1-(2-oxo-2-phenylethyl)-
CAS No: 74588-94-6 Catalog No: AG005W49 MDL No:
Product Description
Catalog Number:
AG005W49
Chemical Name:
1H-Indole-2,3-dione, 5-methoxy-1-(2-oxo-2-phenylethyl)-
CAS Number:
74588-94-6
Molecular Formula:
C17H13NO4
Molecular Weight:
295.2894
IUPAC Name:
5-methoxy-1-phenacylindole-2,3-dione
InChI:
InChI=1S/C17H13NO4/c1-22-12-7-8-14-13(9-12)16(20)17(21)18(14)10-15(19)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key:
VQODYSFUZDDBMZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=O)C(=O)N2CC(=O)c1ccccc1
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.294g/mol
Monoisotopic Mass:
295.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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