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Home > Indoles and Oxindole > 3532-44-3
3532-44-3 | 3-hydroxy-3-phenyl-2-(4-propanoylphenyl)-2,3-dihydro-1h-isoindol-1-one
CAS No: 3532-44-3 Catalog No: AG007DPI MDL No:
Product Description
Catalog Number:
AG007DPI
Chemical Name:
3-hydroxy-3-phenyl-2-(4-propanoylphenyl)-2,3-dihydro-1h-isoindol-1-one
CAS Number:
3532-44-3
Molecular Formula:
C23H19NO3
Molecular Weight:
357.4019
IUPAC Name:
3-hydroxy-3-phenyl-2-(4-propanoylphenyl)isoindol-1-one
InChI:
InChI=1S/C23H19NO3/c1-2-21(25)16-12-14-18(15-13-16)24-22(26)19-10-6-7-11-20(19)23(24,27)17-8-4-3-5-9-17/h3-15,27H,2H2,1H3
InChI Key:
CXAIJAVXSYVZGF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1ccc(cc1)N1C(=O)c2c(C1(O)c1ccccc1)cccc2
NSC Number:
67332
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.409g/mol
Monoisotopic Mass:
357.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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