AG009906

Name: 2-(propylsulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG009906

1016687-98-1 | 2-(propylsulfonyl)benzoic acid

AG009906

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CAS Number	1016687-98-1
Catalog Number	AG009906(AGN-PC-0WBPF7)
Chemical Name	2-(propylsulfonyl)benzoic acid
IUPAC Name	2-propylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-2-7-15(13,14)9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	QEQFQVHUVIDQBN-UHFFFAOYSA-N
MDL Number	MFCD09927897
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCCS(C1=C(C(O)=O)C=CC=C1)(=O)=O
Synonyms	2-(propylsulfonyl)benzoic acid, 1016687-98-1, 2-(propane-1-sulfonyl)benzoic acid, AC1Q2YIK, SCHEMBL19617695, CTK6E6435, benzoic acid, 2-(propylsulfonyl)-, ALBB-016208, 7415AC, BBL015736, MFCD09927897, STL122192, ZINC19423132, AKOS000168027, MCULE-7952969367, EN300-39197, Z1235963249, C10H12O4S, T1112,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.046g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.262g/mol
Monoisotopic Mass	228.046g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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