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Home > Indoles and Oxindole > 82971-75-3
82971-75-3 | 1H-Isoindol-1-one, 2,3-dihydro-2-phenyl-3-(phenylmethylene)-, (E)-
CAS No: 82971-75-3 Catalog No: AG005EH4 MDL No:
Product Description
Catalog Number:
AG005EH4
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-phenyl-3-(phenylmethylene)-, (E)-
CAS Number:
82971-75-3
Molecular Formula:
C21H15NO
Molecular Weight:
297.3499
IUPAC Name:
3-benzylidene-2-phenylisoindol-1-one
InChI:
InChI=1S/C21H15NO/c23-21-19-14-8-7-13-18(19)20(15-16-9-3-1-4-10-16)22(21)17-11-5-2-6-12-17/h1-15H
InChI Key:
GPQOMNXGBOOTIB-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2/C(=C\c2ccccc2)/N1c1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.357g/mol
Monoisotopic Mass:
297.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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