AG006PDI

Name: 4-(propane-1-sulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG006PDI

99186-88-6 | 4-(propane-1-sulfonyl)benzoic acid

AG006PDI

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CAS Number	99186-88-6
Catalog Number	AG006PDI(AGN-PC-0JNK5A)
Chemical Name	4-(propane-1-sulfonyl)benzoic acid
IUPAC Name	4-propylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-2-7-15(13,14)9-5-3-8(4-6-9)10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChI Key	YQQVAQOZIVPLQU-UHFFFAOYSA-N
MDL Number	MFCD09949156
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCCS(C1=CC=C(C(O)=O)C=C1)(=O)=O
Synonyms	4-(propylsulfonyl)benzoic acid, 99186-88-6, 4-(propane-1-sulfonyl)benzoic acid, Benzoic acid, 4-(propylsulfonyl)-, 4-[Propylsulfonyl]benzoic acid, 4-propylsulfonylbenzoic Acid, AC1L4MXD, SCHEMBL1018690, CTK5I0275, DTXSID50243980, YQQVAQOZIVPLQU-UHFFFAOYSA-N, ZINC5836800, AKOS000192050, MCULE-5071167900, NE46000, EN300-85045, Z1258578400, CID188497,

Complexity	307
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