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Home > Indoles and Oxindole > 89313-73-5
89313-73-5 | 1H-Isoindol-1-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-
CAS No: 89313-73-5 Catalog No: AG0040FF MDL No:
Product Description
Catalog Number:
AG0040FF
Chemical Name:
1H-Isoindol-1-one, 2-(3,4-dimethoxyphenyl)-2,3-dihydro-
CAS Number:
89313-73-5
Molecular Formula:
C16H15NO3
Molecular Weight:
269.2952
IUPAC Name:
2-(3,4-dimethoxyphenyl)-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO3/c1-19-14-8-7-12(9-15(14)20-2)17-10-11-5-3-4-6-13(11)16(17)18/h3-9H,10H2,1-2H3
InChI Key:
JHHONLLSDOMOEE-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)N1Cc2c(C1=O)cccc2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.3g/mol
Monoisotopic Mass:
269.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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