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Home > Indoles and Oxindole > 78121-14-9
78121-14-9 | 3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-(3-oxo-1-phenylbutyl)-
CAS No: 78121-14-9 Catalog No: AG0054ZB MDL No:
Product Description
Catalog Number:
AG0054ZB
Chemical Name:
3H-Indol-3-one, 1-acetyl-1,2-dihydro-2-(3-oxo-1-phenylbutyl)-
CAS Number:
78121-14-9
Molecular Formula:
C20H19NO3
Molecular Weight:
321.3698
IUPAC Name:
1-acetyl-2-(3-oxo-1-phenylbutyl)-2H-indol-3-one
InChI:
InChI=1S/C20H19NO3/c1-13(22)12-17(15-8-4-3-5-9-15)19-20(24)16-10-6-7-11-18(16)21(19)14(2)23/h3-11,17,19H,12H2,1-2H3
InChI Key:
QLYWZTAFZMKVOY-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C1N(C(=O)C)c2c(C1=O)cccc2)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.136g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.376g/mol
Monoisotopic Mass:
321.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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