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Home > Indoles and Oxindole > 22931-53-9
22931-53-9 | 1H-Isoindole-1,3,5(2H,4H)-trione, tetrahydro-2-(phenylmethyl)-
CAS No: 22931-53-9 Catalog No: AG002LKB MDL No:MFCD00431954
Product Description
Catalog Number:
AG002LKB
Chemical Name:
1H-Isoindole-1,3,5(2H,4H)-trione, tetrahydro-2-(phenylmethyl)-
CAS Number:
22931-53-9
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
MDL Number:
MFCD00431954
IUPAC Name:
2-benzyl-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
InChI:
InChI=1S/C15H15NO3/c17-11-6-7-12-13(8-11)15(19)16(14(12)18)9-10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChI Key:
QVGBOFYZGZBPSE-UHFFFAOYSA-N
SMILES:
O=C1CCC2C(C1)C(=O)N(C2=O)Cc1ccccc1
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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