AG0033A0

6283-71-2 | Dimethyl 2-cyanosuccinate

AG0033A0

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CAS Number	6283-71-2
Catalog Number	AG0033A0(AGN-PC-05RDIN)
Chemical Name	Dimethyl 2-cyanosuccinate
IUPAC Name	dimethyl 2-cyanobutanedioate
InChI	InChI=1S/C7H9NO4/c1-11-6(9)3-5(4-8)7(10)12-2/h5H,3H2,1-2H3
InChI Key	PJAMMJHRVPQDMS-UHFFFAOYSA-N
MDL Number	MFCD01760090
Molecular Formula	C7H9NO4
Molecular Weight	171.1507
NSC Number	7708
SMILES	C(#N)C(C(=O)OC)CC(=O)OC
Synonyms	dimethyl 2-cyanosuccinate, 6283-71-2, 2-Cyanosuccinic acid dimethyl ester, Dimethyl cyanosuccinate, 2-Cyanobutanedioic acid dimethyl ester, 1,4-dimethyl 2-cyanobutanedioate, 2-Cyanobutanedioicacid,dimethylester, BRN 1781500, Butanedioic acid, cyano-, dimethyl ester, AI3-11155, Succinic acid, cyano-, dimethyl ester, AK-41802, 2-Cyano-succinic acid dimethyl ester, AC1Q5ZRU, AC1L3T5O, dimethyl 2-cyanobutanedioate, Butanedioic acid, cyano-, dimethyl ester (9CI), 0-02-00-00813 (Beilstein Handbook Reference), KSC616E8T, SCHEMBL1752393, CTK5B6289, KS-00000ODX, NSC7708, PJAMMJHRVPQDMS-UHFFFAOYSA-N, NSC-7708, ANW-51702, MFCD01760090, 2-Cyano butanedioic acid dimethylester, AKOS006280185, GS-3307, RTR-021619, 2-Cyano butanedioic acid dimethyl ester, TRA-0183911, 4-Amino-N,N-diethylaniline sulfate salt, BR-41802, R727, SY021147, AB0018293, AX8208845, LS-147410, TR-021619, FT-0693237, ST24033156, Butanedioic acid,2-cyano-, 1,4-dimethyl ester, M-2795, MFCD01760090 (95+%), 283C712, I14-6756, I14-15677, C7H9NO4, C7-H9-N-O4, CID94907, AR-1I5479, 10359-15-6, 623-42-7, 6386-39-6,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.152g/mol
Monoisotopic Mass	171.053g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	76.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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