Name: Name:3-Pyrrolidinecarboxylic acid, 1-(5-chloro-2-methylphenyl)-5-oxo-
Brand: Angene
SKU: AG00IB97
Rating: 90 (10 reviews)

3-Pyrrolidinecarboxylic acid, 1-(5-chloro-2-methylphenyl)-5-oxo-

CAS No.:

63675-00-3

Catalog Number:

AG00IB97

Molecular Formula:

C12H12ClNO3

Molecular Weight:

253.6816

Catalog Number:

AG00IB97

Chemical Name:

3-Pyrrolidinecarboxylic acid, 1-(5-chloro-2-methylphenyl)-5-oxo-

CAS Number:

63675-00-3

Molecular Formula:

C12H12ClNO3

Molecular Weight:

253.6816

MDL Number:

MFCD00741863

IUPAC Name:

1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI:

InChI=1S/C12H12ClNO3/c1-7-2-3-9(13)5-10(7)14-6-8(12(16)17)4-11(14)15/h2-3,5,8H,4,6H2,1H3,(H,16,17)

InChI Key:

HFMQBZLBNDOOFS-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1N1CC(CC1=O)C(=O)O)Cl

Complexity:

334

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.682g/mol

Monoisotopic Mass:

253.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5