1-(Phenylsulfonyl)-3-pyrrolidinecarboxylic Acid - CAS 1384643-33-7

Catalog:	BB058187
Product Name:	1-(Phenylsulfonyl)-3-pyrrolidinecarboxylic Acid
CAS:	1384643-33-7
Synonyms:	1-Benzenesulfonyl-pyrrolidine-3-carboxylic Acid

Technical Data

IUPAC Name:	1-(benzenesulfonyl)pyrrolidine-3-carboxylic acid
Description:	1-(Phenylsulfonyl)-3-pyrrolidinecarboxylic Acid is used as a reagent in the synthesis of substituted sulfonamide-carboxylic acids, carboxylic esters, carboxamides, and carbonitriles as herbicides for increasing stress tolerance in plants.
Molecular Weight:	255.29
Molecular Formula:	C11H13NO4S
Canonical SMILES:	C1CN(CC1C(=O)O)S(=O)(=O)C2=CC=CC=C2
InChI:	InChI=1S/C11H13NO4S/c13-11(14)9-6-7-12(8-9)17(15,16)10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,13,14)
InChI Key:	JVDVDNNZPHRWQF-UHFFFAOYSA-N
References:	Frackenpohl, J., et al. Eur. Pat. Appl. EP 2471363 A1 20120704. Jul 4, 2012.

Complexity:	381
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.05652907
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	255.05652907
Rotatable Bond Count:	3
Topological Polar Surface Area:	83.1Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7