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Home > Indoles and Oxindole > 96599-47-2
96599-47-2 | 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-2-phenyl-
CAS No: 96599-47-2 Catalog No: AG0066WR MDL No:MFCD00175758
Product Description
Catalog Number:
AG0066WR
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-methyl-2-phenyl-
CAS Number:
96599-47-2
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
MDL Number:
MFCD00175758
IUPAC Name:
5-methyl-2-phenyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
InChI:
InChI=1S/C15H15NO2/c1-10-7-8-12-13(9-10)15(18)16(14(12)17)11-5-3-2-4-6-11/h2-7,12-13H,8-9H2,1H3
InChI Key:
ASZMUCNZOBZRBK-UHFFFAOYSA-N
SMILES:
CC1=CCC2C(C1)C(=O)N(C2=O)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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