AG01BEG6

Name: 4-(butane-1-sulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG01BEG6

100059-51-6 | 4-(butane-1-sulfonyl)benzoic acid

AG01BEG6

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CAS Number	100059-51-6
Catalog Number	AG01BEG6(AGN-PC-0OPDH3)
Chemical Name	4-(butane-1-sulfonyl)benzoic acid
IUPAC Name	4-butylsulfonylbenzoic acid
InChI	InChI=1S/C11H14O4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)
InChI Key	ZBKOZGCANJUKEY-UHFFFAOYSA-N
MDL Number	MFCD09935862
Molecular Formula	C11H14O4S
Molecular Weight	242.2915
SMILES	CCCCS(C1=CC=C(C(O)=O)C=C1)(=O)=O
Synonyms	100059-51-6, 4-butylsulfonylbenzoic Acid, 4-(butane-1-sulfonyl)benzoic acid, Benzoic acid, 4-(butylsulfonyl)-, 4-[Butylsulfonyl]benzoic acid, AC1L47S3, DTXSID60142894, ZINC5821635, AKOS000178372, NE14638, A1-05448, C11-H14-O4-S, CID180763,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	242.289g/mol
Monoisotopic Mass	242.061g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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