AG01A2S5

Name: 3-[4-(Ethanesulfonyl)phenyl]propanoic acid
Brand: Angene Chemical
SKU: AG01A2S5

1152497-21-6 | 3-[4-(Ethanesulfonyl)phenyl]propanoic acid

AG01A2S5

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CAS Number	1152497-21-6
Catalog Number	AG01A2S5
Chemical Name	3-[4-(Ethanesulfonyl)phenyl]propanoic acid
IUPAC Name	3-(4-ethylsulfonylphenyl)propanoic acid
InChI	InChI=1S/C11H14O4S/c1-2-16(14,15)10-6-3-9(4-7-10)5-8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChI Key	LVUVKHXXUGCFGA-UHFFFAOYSA-N
MDL Number	MFCD11103048
Molecular Formula	C11H14O4S
Molecular Weight	242.2915
SMILES	CCS(C1=CC=C(CCC(O)=O)C=C1)(=O)=O
Synonyms	3-[4-(ethanesulfonyl)phenyl]propanoic acid, 1152497-21-6, SCHEMBL14744565, ZINC34961619, AKOS009308690, MCULE-3310265501, NE32428, Benzenepropanoic acid, 4-(ethylsulfonyl)-, FT-0752162, Z1532540522, 4-(ethylsulfonyl)Benzenepropanoic acid,

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	1.1

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