Name: Name:2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
Brand: Angene
SKU: AG01AD58
Rating: 90 (10 reviews)

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile

CAS No.:

91135-57-8

Catalog Number:

AG01AD58

Molecular Formula:

C11H8N2O2

Molecular Weight:

200.1934

Catalog Number:

AG01AD58

Chemical Name:

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile

CAS Number:

91135-57-8

Molecular Formula:

C11H8N2O2

Molecular Weight:

200.1934

MDL Number:

MFCD12783505

IUPAC Name:

2-(1,3-dioxoisoindol-2-yl)propanenitrile

InChI:

InChI=1S/C11H8N2O2/c1-7(6-12)13-10(14)8-4-2-3-5-9(8)11(13)15/h2-5,7H,1H3

InChI Key:

CCMYZTUSYFAWOI-UHFFFAOYSA-N

SMILES:

CC(N1C(=O)c2c(C1=O)cccc2)C#N

Complexity:

331

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.197g/mol

Monoisotopic Mass:

200.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5