Name: Name:1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
Brand: Angene
SKU: AG019W4E
Rating: 90 (10 reviews)

1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS No.:

944643-62-3

Catalog Number:

AG019W4E

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

Catalog Number:

AG019W4E

Chemical Name:

1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS Number:

944643-62-3

Molecular Formula:

C12H10N2O3

Molecular Weight:

230.2194

MDL Number:

MFCD07364795

IUPAC Name:

1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C12H10N2O3/c13-6-8-1-3-10(4-2-8)14-7-9(12(16)17)5-11(14)15/h1-4,9H,5,7H2,(H,16,17)

InChI Key:

AWHVWOBPWUNUBZ-UHFFFAOYSA-N

SMILES:

N#Cc1ccc(cc1)N1CC(CC1=O)C(=O)O

Complexity:

377

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

230.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

230.223g/mol

Monoisotopic Mass:

230.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2