AG00BW4H

Name: 3-(propane-2-sulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG00BW4H

20884-64-4 | 3-(propane-2-sulfonyl)benzoic acid

AG00BW4H

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CAS Number	20884-64-4
Catalog Number	AG00BW4H
Chemical Name	3-(propane-2-sulfonyl)benzoic acid
IUPAC Name	3-propan-2-ylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-7(2)15(13,14)9-5-3-4-8(6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
InChI Key	XFZWBJNMCIHLLI-UHFFFAOYSA-N
MDL Number	MFCD11179715
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CC(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)O
Synonyms	20884-64-4, 3-(isopropylsulfonyl)benzoic acid, 3-(propane-2-sulfonyl)benzoic acid, Benzoic acid, 3-[(1-methylethyl)sulfonyl]-, SCHEMBL4248336, XFZWBJNMCIHLLI-UHFFFAOYSA-N, ZINC36156090, 3-(propane-2-sulfonyl)-benzoic acid, AKOS009307712, MCULE-8321551235, NE44421, S01-0608, Z1708089989,

Complexity	326
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	1.4

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