AG002JXD

Name: 4-(Isopropylsulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG002JXD

20884-61-1 | 4-(Isopropylsulfonyl)benzoic acid

AG002JXD

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CAS Number	20884-61-1
Catalog Number	AG002JXD(AGN-PC-045OK4)
Chemical Name	4-(Isopropylsulfonyl)benzoic acid
IUPAC Name	4-propan-2-ylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	BOJGIPHAFYLYRH-UHFFFAOYSA-N
MDL Number	MFCD09928170
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CC(S(C1=CC=C(C(O)=O)C=C1)(=O)=O)C
Synonyms	4-(Isopropylsulfonyl)benzoic acid, 4-(propane-2-sulfonyl)benzoic acid, 20884-61-1, Benzoic acid, 4-[(1-methylethyl)sulfonyl]-, ACMC-209ffl, AC1Q1QT5, SCHEMBL1020457, CTK6B1229, DTXSID80635091, BOJGIPHAFYLYRH-UHFFFAOYSA-N, ANW-24271, MFCD09928170, ZINC19423808, AKOS000168248, MCULE-3770090129, AJ-73415, TC-113016, ST24023227, V4278, EN300-42364, B-7811, J-013700, F2158-0852, Z228037852, C10H12O4S,

Complexity	318
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	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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