AG00BQBA

Name: 4-(ethanesulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG00BQBA

21571-66-4 | 4-(ethanesulfonyl)benzoic acid

AG00BQBA

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CAS Number	21571-66-4
Catalog Number	AG00BQBA(AGN-PC-0JNFDJ)
Chemical Name	4-(ethanesulfonyl)benzoic acid
IUPAC Name	4-ethylsulfonylbenzoic acid
InChI	InChI=1S/C9H10O4S/c1-2-14(12,13)8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	IOMGTNZQTBFAHK-UHFFFAOYSA-N
MDL Number	MFCD09931970
Molecular Formula	C9H10O4S
Molecular Weight	214.2383
SMILES	CCS(C1=CC=C(C(O)=O)C=C1)(=O)=O
Synonyms	4-(ethanesulfonyl)benzoic acid, 4-ethylsulfonylbenzoic Acid, 21571-66-4, 4-(ethylsulfonyl)benzoic acid, 4-[Ethylsulfonyl]benzoic acid, AC1Q38BZ, AC1L454B, SCHEMBL1403608, CTK1A7971, Benzoicacid, 4-(ethylsulfonyl)-, DTXSID20175921, IOMGTNZQTBFAHK-UHFFFAOYSA-N, Benzoic acid, 4-(ethylsulfonyl)-, ZINC5863875, MFCD09931970, AKOS000175393, MCULE-4892231072, NE17306, BS-13954, EN300-59447, Z228037846, CID179367,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.235g/mol
Monoisotopic Mass	214.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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