AG00EBJE

Name: 1-CYANO-CYCLOHEXANECARBOXYLIC ACIDMETHYL ESTER
Brand: Angene Chemical
SKU: AG00EBJE

58920-80-2 | 1-CYANO-CYCLOHEXANECARBOXYLIC ACIDMETHYL ESTER

AG00EBJE

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CAS Number	58920-80-2
Catalog Number	AG00EBJE(AGN-PC-0NH99U)
Chemical Name	1-CYANO-CYCLOHEXANECARBOXYLIC ACIDMETHYL ESTER
IUPAC Name	methyl 1-cyanocyclohexane-1-carboxylate
InChI	InChI=1S/C9H13NO2/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-6H2,1H3
InChI Key	PVFHKRCUWUPRFA-UHFFFAOYSA-N
MDL Number	MFCD09030934
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
SMILES	COC(=O)C1(CCCCC1)C#N
Synonyms	methyl 1-cyanocyclohexanecarboxylate, 58920-80-2, Methyl 1-cyanocyclohexane-1-carboxylate, 1-CYANO-CYCLOHEXANECARBOXYLIC ACIDMETHYL ESTER, 1-CYANO-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER, methylcyanocyclohexanecarboxylate, SCHEMBL14859472, CTK5A9096, DTXSID60457879, PVFHKRCUWUPRFA-UHFFFAOYSA-N, KS-000024BP, 6243AE, MFCD09030934, SBB088098, ZINC16698747, AKOS005072206, DC-0840, MCULE-2044015492, NE24015, RP10402, SB13856, AN-39653, TR-020450, FT-0680931, 1-Cyanocyclohexanecarboxylic acid methyl ester, 1-cyano-cyclohexane-1-carboxylic acid methyl ester, J-521758, I14-20988, C9H13NO2, CID11182833,

Complexity	220
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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