Name: Name:2-(3-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG019T3K
Rating: 90 (10 reviews)

2-(3-oxocyclohexyl)-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

409109-10-0

Catalog Number:

AG019T3K

Molecular Formula:

C14H13NO3

Molecular Weight:

243.2579

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

Complexity:

380

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

243.262g/mol

Monoisotopic Mass:

243.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1