AG00ADWQ

Name: 3-Cyano-5-methylhexanoic acid
Brand: Angene Chemical
SKU: AG00ADWQ

181289-16-7 | 3-Cyano-5-methylhexanoic acid

AG00ADWQ

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COA

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CAS Number	181289-16-7
Catalog Number	AG00ADWQ(AGN-PC-0WBNMX)
Chemical Name	3-Cyano-5-methylhexanoic acid
IUPAC Name	3-cyano-5-methylhexanoic acid
InChI	InChI=1S/C8H13NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-4H2,1-2H3,(H,10,11)
InChI Key	MGWZYUMZVZMKTN-UHFFFAOYSA-N
MDL Number	MFCD20645910
Molecular Formula	C8H13NO2
Molecular Weight	155.1943
SMILES	O=C(O)CC(C#N)CC(C)C
Synonyms	3-cyano-5-methylhexanoic acid, 181289-16-7, SCHEMBL16694, MGWZYUMZVZMKTN-UHFFFAOYSA-N, Hexanoic acid, 3-cyano-5-methyl-, (+/-)-3-cyano-5-methylhexanoic acid, racemic 3-cyano-5-methyl-hexanoic acid, Pregabalin Cyano Impurity, (S)-3-cyano-5-methylhexanoic acid, 181289-37-2,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.095g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	155.197g/mol
Monoisotopic Mass	155.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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