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Home > Indoles and Oxindole > 17622-72-9
17622-72-9 | 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-methylphenyl)-
CAS No: 17622-72-9 Catalog No: AG0024IJ MDL No:
Product Description
Catalog Number:
AG0024IJ
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-methylphenyl)-
CAS Number:
17622-72-9
Molecular Formula:
C22H19NO
Molecular Weight:
313.3924
IUPAC Name:
3,3-bis(4-methylphenyl)-2H-isoindol-1-one
InChI:
InChI=1S/C22H19NO/c1-15-7-11-17(12-8-15)22(18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(24)23-22/h3-14H,1-2H3,(H,23,24)
InChI Key:
UVQJHLBTLILNDK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1(NC(=O)c2c1cccc2)c1ccc(cc1)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.4g/mol
Monoisotopic Mass:
313.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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