AG00I6MD

Name: 2-[(2-oxopropyl)sulfanyl]benzoic acid
Brand: Angene Chemical
SKU: AG00I6MD

336186-19-7 | 2-[(2-oxopropyl)sulfanyl]benzoic acid

AG00I6MD

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CAS Number	336186-19-7
Catalog Number	AG00I6MD(AGN-PC-0KH6YP)
Chemical Name	2-[(2-oxopropyl)sulfanyl]benzoic acid
IUPAC Name	2-(2-oxopropylsulfanyl)benzoic acid
InChI	InChI=1S/C10H10O3S/c1-7(11)6-14-9-5-3-2-4-8(9)10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChI Key	QIFGESFKZRVPBT-UHFFFAOYSA-N
MDL Number	MFCD06355960
Molecular Formula	C10H10O3S
Molecular Weight	210.2496
SMILES	CC(CSC1=C(C(O)=O)C=CC=C1)=O
Synonyms	336186-19-7, 2-[(2-oxopropyl)sulfanyl]benzoic acid, 2-[(2-oxopropyl)thio]benzoic acid, 2-(2-oxopropylthio)benzoic acid, Benzoic acid, 2-[(2-oxopropyl)thio]-, 2-((2-Oxopropyl)thio)benzoic acid, 2-(2-oxopropylmercapto)benzoic acid, 2-(2-oxopropylsulfanyl)benzoic Acid, AC1M8S4A, AC1Q1K6L, 2-(Acetonylthio)benzoic acid, SCHEMBL2561504, CTK1B8287, DTXSID60368815, QIFGESFKZRVPBT-UHFFFAOYSA-N, ALBB-030427, ZINC3375023, MFCD06355960, AKOS001848405, MCULE-6104140904, NE39115, 2-[(2-oxopropyl)-sulfanyl]benzoic acid, TC-010459, EN300-10967, SR-01000058269, SR-01000058269-1, Z57028528, CID2492739,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.247g/mol
Monoisotopic Mass	210.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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