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409109-10-0 | 2-(3-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 409109-10-0 Catalog No: AG019T3K MDL No:MFCD19373871
Product Description
Catalog Number:
AG019T3K
Chemical Name:
2-(3-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
409109-10-0
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
MDL Number:
MFCD19373871
IUPAC Name:
2-(3-oxocyclohexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H13NO3/c16-10-5-3-4-9(8-10)15-13(17)11-6-1-2-7-12(11)14(15)18/h1-2,6-7,9H,3-5,8H2
InChI Key:
OGGPZZFCSMEQJG-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)N1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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