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Home > Indoles and Oxindole > 89313-72-4
89313-72-4 | 1H-Isoindol-1-one, 2-(4-ethoxyphenyl)-2,3-dihydro-
CAS No: 89313-72-4 Catalog No: AG0040FG MDL No:MFCD00696031
Product Description
Catalog Number:
AG0040FG
Chemical Name:
1H-Isoindol-1-one, 2-(4-ethoxyphenyl)-2,3-dihydro-
CAS Number:
89313-72-4
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
MDL Number:
MFCD00696031
IUPAC Name:
2-(4-ethoxyphenyl)-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO2/c1-2-19-14-9-7-13(8-10-14)17-11-12-5-3-4-6-15(12)16(17)18/h3-10H,2,11H2,1H3
InChI Key:
WYTMNHJXLDVWGL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)N1Cc2c(C1=O)cccc2
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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