Name: Name:1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG019WQA
Rating: 90 (10 reviews)

1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid

CAS No.:

1017427-36-9

Catalog Number:

AG019WQA

Molecular Formula:

C13H15NO3

Molecular Weight:

233.2631

Catalog Number:

AG019WQA

Chemical Name:

1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid

CAS Number:

1017427-36-9

Molecular Formula:

C13H15NO3

Molecular Weight:

233.2631

MDL Number:

MFCD09809113

IUPAC Name:

1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12(14)15)13(16)17/h5-7,11H,3-4H2,1-2H3,(H,16,17)

InChI Key:

BSPQNSXDZAYSLO-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCN(C1=O)c1cc(C)cc(c1)C

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.267g/mol

Monoisotopic Mass:

233.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4