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Home > Indoles and Oxindole > 104496-89-1
104496-89-1 | 1H-Isoindole-1,3(2H)-dione, 2-(4-methylbenzoyl)-
CAS No: 104496-89-1 Catalog No: AG007Y02 MDL No:
Product Description
Catalog Number:
AG007Y02
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-methylbenzoyl)-
CAS Number:
104496-89-1
Molecular Formula:
C16H11NO3
Molecular Weight:
265.2634
IUPAC Name:
2-(4-methylbenzoyl)isoindole-1,3-dione
InChI:
InChI=1S/C16H11NO3/c1-10-6-8-11(9-7-10)14(18)17-15(19)12-4-2-3-5-13(12)16(17)20/h2-9H,1H3
InChI Key:
ZRASJZVAPDTIBO-UHFFFAOYSA-N
SMILES:
O=C(N1C(=O)c2c(C1=O)cccc2)c1ccc(cc1)C
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.268g/mol
Monoisotopic Mass:
265.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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