AG019PK0

Name: 3-(Methanesulfinylmethyl)benzoic acid
Brand: Angene Chemical
SKU: AG019PK0

956332-98-2 | 3-(Methanesulfinylmethyl)benzoic acid

AG019PK0

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CAS Number	956332-98-2
Catalog Number	AG019PK0
Chemical Name	3-(Methanesulfinylmethyl)benzoic acid
IUPAC Name	3-(methylsulfinylmethyl)benzoic acid
InChI	InChI=1S/C9H10O3S/c1-13(12)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	HNKXRQQFQWARSQ-UHFFFAOYSA-N
MDL Number	MFCD07847879
Molecular Formula	C9H10O3S
Molecular Weight	198.2389
SMILES	CS(CC1=CC(C(O)=O)=CC=C1)=O
Synonyms	3-(methanesulfinylmethyl)benzoic acid, 3-[(methylsulfinyl)methyl]benzoic acid, 956332-98-2, AC1Q4GSB, AC1PK8Y0, CTK7B4615, 3-(methylsulfinylmethyl)benzoic acid, AKOS000119199, MCULE-7917721126, NE33082, NCGC00328323-01, EN300-24008, AB01323970-02, Z168883470,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.236g/mol
Monoisotopic Mass	198.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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