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Home > Indoles and Oxindole > 138212-06-3
138212-06-3 | 1H-Isoindole-4,7-dione, 3a,7a-dihydro-1,3-diphenyl-
CAS No: 138212-06-3 Catalog No: AG0018B0 MDL No:
Product Description
Catalog Number:
AG0018B0
Chemical Name:
1H-Isoindole-4,7-dione, 3a,7a-dihydro-1,3-diphenyl-
CAS Number:
138212-06-3
Molecular Formula:
C20H15NO2
Molecular Weight:
301.3386
IUPAC Name:
1,3-diphenyl-3a,7a-dihydro-1H-isoindole-4,7-dione
InChI:
InChI=1S/C20H15NO2/c22-15-11-12-16(23)18-17(15)19(13-7-3-1-4-8-13)21-20(18)14-9-5-2-6-10-14/h1-12,17-19H
InChI Key:
YXJLJQLXCBIVPX-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C2C1C(=NC2c1ccccc1)c1ccccc1
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.11g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.345g/mol
Monoisotopic Mass:
301.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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