AG01A9AS

Name: 2-(Pyrrolidine-1-sulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG01A9AS

893615-46-8 | 2-(Pyrrolidine-1-sulfonyl)benzoic acid

AG01A9AS

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CAS Number	893615-46-8
Catalog Number	AG01A9AS(AGN-PC-0WCAX7)
Chemical Name	2-(Pyrrolidine-1-sulfonyl)benzoic acid
IUPAC Name	2-pyrrolidin-1-ylsulfonylbenzoic acid
InChI	InChI=1S/C11H13NO4S/c13-11(14)9-5-1-2-6-10(9)17(15,16)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8H2,(H,13,14)
InChI Key	NDFOTPRGXQCUGJ-UHFFFAOYSA-N
MDL Number	MFCD09804452
Molecular Formula	C11H13NO4S
Molecular Weight	255.2902
SMILES	OC(C1=C(S(N2CCCC2)(=O)=O)C=CC=C1)=O
Synonyms	2-(pyrrolidine-1-sulfonyl)benzoic acid, 893615-46-8, 2-(Pyrrolidin-1-ylsulfonyl)benzoic acid, AC1Q725A, SCHEMBL5069997, KS-00003STJ, 2-(pyrrolidinylsulfonyl)benzoic acid, SBB052756, ZINC19409767, AKOS000166219, MCULE-1289299060, NE56430, 2-(Pyrrolidin-1-ylsulphonyl)benzoic acid, TS-00816, EN300-64596, Z1178484505,

Complexity	381
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.057g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.288g/mol
Monoisotopic Mass	255.057g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited