AG00785I

Name: 1,5-Dimethyl 3-(cyanomethylidene)pentanedioate
Brand: Angene Chemical
SKU: AG00785I

1709-25-7 | 1,5-Dimethyl 3-(cyanomethylidene)pentanedioate

AG00785I

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CAS Number	1709-25-7
Catalog Number	AG00785I(AGN-PC-0JNSHQ)
Chemical Name	1,5-Dimethyl 3-(cyanomethylidene)pentanedioate
IUPAC Name	dimethyl 3-(cyanomethylidene)pentanedioate
InChI	InChI=1S/C9H11NO4/c1-13-8(11)5-7(3-4-10)6-9(12)14-2/h3H,5-6H2,1-2H3
InChI Key	WMDNNIMWXQUULJ-UHFFFAOYSA-N
MDL Number	MFCD00019835
Molecular Formula	C9H11NO4
Molecular Weight	197.1879
NSC Number	79877
SMILES	COC(=O)CC(CC(=O)OC)=CC#N
Synonyms	1709-25-7, Dimethyl 3-(cyanomethylene)pentanedioate, dimethyl 3-(cyanomethylidene)pentanedioate, 1,5-dimethyl 3-(cyanomethylidene)pentanedioate, Pentanedioic acid,3-(cyanomethylene)-, 1,5-dimethyl ester, NSC79877, AC1L5RCH, AC1Q4Q5V, SCHEMBL1762775, CTK4D3756, DTXSID90292033, WMDNNIMWXQUULJ-UHFFFAOYSA-N, ZINC1724283, NSC-79877, AKOS006272034, MCULE-1806887144, FT-0667344, DIMETHYL BETA-(CYANOMETHYLENE)GLUTARATE, 3-cyanomethylene-pentanedioic acid dimethyl ester, AR-1I5497, CID254955, 206256-21-5,

Complexity	277
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.069g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.19g/mol
Monoisotopic Mass	197.069g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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