Name: Name:2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
Brand: Angene
SKU: AG00VTIQ
Rating: 90 (10 reviews)

2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

CAS No.:

41935-27-7

Catalog Number:

AG00VTIQ

Molecular Formula:

C14H13NO4

Molecular Weight:

259.2573

Catalog Number:

AG00VTIQ

Chemical Name:

2-(2-acetyl-3-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

CAS Number:

41935-27-7

Molecular Formula:

C14H13NO4

Molecular Weight:

259.2573

MDL Number:

MFCD00994904

IUPAC Name:

2-(2-acetyl-3-oxobutyl)isoindole-1,3-dione

InChI:

InChI=1S/C14H13NO4/c1-8(16)12(9(2)17)7-15-13(18)10-5-3-4-6-11(10)14(15)19/h3-6,12H,7H2,1-2H3

InChI Key:

XIMLYUAJDIUXCV-UHFFFAOYSA-N

SMILES:

CC(=O)C(C(=O)C)CN1C(=O)c2c(C1=O)cccc2

NSC Number:

649421

Complexity:

405

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.261g/mol

Monoisotopic Mass:

259.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1