Name: Name:2,5-dimethyl-1,3-dioxo-octahydro-1H-isoindole-4-carboxylic acid
Brand: Angene
SKU: AG019Y3Z
Rating: 90 (10 reviews)

2,5-dimethyl-1,3-dioxo-octahydro-1H-isoindole-4-carboxylic acid

CAS No.:

1221724-20-4

Catalog Number:

AG019Y3Z

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

Catalog Number:

AG019Y3Z

Chemical Name:

2,5-dimethyl-1,3-dioxo-octahydro-1H-isoindole-4-carboxylic acid

CAS Number:

1221724-20-4

Molecular Formula:

C11H15NO4

Molecular Weight:

225.2411

MDL Number:

MFCD14705644

IUPAC Name:

2,5-dimethyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindole-4-carboxylic acid

InChI:

InChI=1S/C11H15NO4/c1-5-3-4-6-8(7(5)11(15)16)10(14)12(2)9(6)13/h5-8H,3-4H2,1-2H3,(H,15,16)

InChI Key:

TUDGPTGIVROZOI-UHFFFAOYSA-N

SMILES:

CC1CCC2C(C1C(=O)O)C(=O)N(C2=O)C

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.244g/mol

Monoisotopic Mass:

225.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2