AG00IA51

Name: 3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Brand: Angene Chemical
SKU: AG00IA51

568559-40-0 | 3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid

AG00IA51

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CAS Number	568559-40-0
Catalog Number	AG00IA51
Chemical Name	3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
IUPAC Name	3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C16H18O3S/c17-16(18)15-13(10-20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,17,18)
InChI Key	QMCFJKXBRHJGKO-UHFFFAOYSA-N
MDL Number	MFCD03986074
Molecular Formula	C16H18O3S
Molecular Weight	290.3773
SMILES	O=C(C1=C(CSC2CCCCC2)C3=CC=CC=C3O1)O
Synonyms	568559-40-0, 3-Cyclohexylsulfanylmethyl-benzofuran-2-carboxylic acid, 3-[(cyclohexylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid, AC1M82DD, AC1Q72AN, CTK7J1251, ZINC3361076, MFCD03986074, AKOS008966952, MCULE-3044859757, NE36954, EN300-06291, AB00720823-01, Z56917418, 3-((Cyclohexylthio)methyl)benzofuran-2-carboxylic acid, 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylic acid, CID2478636, 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylic Acid,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.098g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	290.377g/mol
Monoisotopic Mass	290.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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