AG006W3F

Name: 2-[(2-oxo-2-phenylethyl)thio]benzoic acid
Brand: Angene Chemical
SKU: AG006W3F

25803-71-8 | 2-[(2-oxo-2-phenylethyl)thio]benzoic acid

AG006W3F

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CAS Number	25803-71-8
Catalog Number	AG006W3F(AGN-PC-0WB46G)
Chemical Name	2-[(2-oxo-2-phenylethyl)thio]benzoic acid
IUPAC Name	2-phenacylsulfanylbenzoic acid
InChI	InChI=1S/C15H12O3S/c16-13(11-6-2-1-3-7-11)10-19-14-9-5-4-8-12(14)15(17)18/h1-9H,10H2,(H,17,18)
InChI Key	BLEPSDUOWLSFPI-UHFFFAOYSA-N
MDL Number	MFCD00425516
Molecular Formula	C15H12O3S
Molecular Weight	272.3190
SMILES	C1(=CC=CC=C1SCC(C1C=CC=CC=1)=O)C(O)=O
Synonyms	2-[(2-OXO-2-PHENYLETHYL)THIO]BENZOIC ACID, 25803-71-8, 2-[(2-oxo-2-phenylethyl)sulfanyl]benzoic acid, 2-(2-Oxo-2-phenyl-ethylsulfanyl)-benzoic acid, 2-(2-oxo-2-phenylethylthio)benzoic acid, CBDivE_005218, AC1MCHEJ, Oprea1_796900, 2-phenacylsulfanylbenzoic acid, MLS001167432, CHEMBL1451781, SCHEMBL11824136, CTK4F6483, DTXSID80377843, HMS1577P08, HMS2944I09, ALBB-026051, ZINC3864408, MFCD00425516, SBB072821, STK865690, AKOS000805781, MCULE-9430224135, SMR000640694, ST058814, AB0167002, DB-028155, FT-0740654, W-6819, benzoic acid, 2-[(2-oxo-2-phenylethyl)thio]-, SR-01000396936, SR-01000396936-1, F0016-0042, CID2769709,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.051g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	272.318g/mol
Monoisotopic Mass	272.051g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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