AG00IDOV

Name: 4-(Cyclopentylsulfanyl)benzoic acid
Brand: Angene Chemical
SKU: AG00IDOV

855198-83-3 | 4-(Cyclopentylsulfanyl)benzoic acid

AG00IDOV

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CAS Number	855198-83-3
Catalog Number	AG00IDOV(AGN-PC-0WOJJ1)
Chemical Name	4-(Cyclopentylsulfanyl)benzoic acid
IUPAC Name	4-cyclopentylsulfanylbenzoic acid
InChI	InChI=1S/C12H14O2S/c13-12(14)9-5-7-11(8-6-9)15-10-3-1-2-4-10/h5-8,10H,1-4H2,(H,13,14)
InChI Key	LUPXZOGBGAFZNK-UHFFFAOYSA-N
MDL Number	MFCD09738409
Molecular Formula	C12H14O2S
Molecular Weight	222.3034
SMILES	OC(=O)c1ccc(cc1)SC1CCCC1
Synonyms	4-(Cyclopentylsulfanyl)benzoic acid, 855198-83-3, CTK7I8148, ZINC22220565, AKOS000145459, 4-(CYCLOPENTYLTHIO)BENZOIC ACID,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.302g/mol
Monoisotopic Mass	222.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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