AG007B71

Name: 7-(Methylsulfanyl)heptanoic acid
Brand: Angene Chemical
SKU: AG007B71

111261-32-6 | 7-(Methylsulfanyl)heptanoic acid

AG007B71

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CAS Number	111261-32-6
Catalog Number	AG007B71(AGN-PC-00OCU7)
Chemical Name	7-(Methylsulfanyl)heptanoic acid
IUPAC Name	7-methylsulfanylheptanoic acid
InChI	InChI=1S/C8H16O2S/c1-11-7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
InChI Key	NSJBWSPQSPXKLG-UHFFFAOYSA-N
MDL Number	MFCD20641744
Molecular Formula	C8H16O2S
Molecular Weight	176.2764
SMILES	CSCCCCCCC(O)=O
Synonyms	111261-32-6, 7-(METHYLSULFANYL)HEPTANOIC ACID, Heptanoic acid, 7-(methylthio)-, 7-Methylsulfanylheptanoic acid, 8-thianonanoic acid, ACMC-20me6f, SCHEMBL20378734, CTK0D4086, DTXSID20551943, AKOS033979513, ZINC196249606, A1-05738, Z2684312026,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.087g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.274g/mol
Monoisotopic Mass	176.087g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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