AG00DENZ

5417-82-3 | (1-ETHOXYETHYLIDENE)MALONONITRILE

AG00DENZ

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CAS Number	5417-82-3
Catalog Number	AG00DENZ(AGN-PC-0JLS0L)
Chemical Name	(1-ETHOXYETHYLIDENE)MALONONITRILE
EC Number	226-521-5
IUPAC Name	2-(1-ethoxyethylidene)propanedinitrile
InChI	InChI=1S/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H3
InChI Key	BOSVWXDDFBSSIZ-UHFFFAOYSA-N
MDL Number	MFCD00001852
Molecular Formula	C7H8N2O
Molecular Weight	136.1512
NSC Number	11585
SMILES	N#CC(C#N)=C(OCC)C
Synonyms	5417-82-3, (1-Ethoxyethylidene)malononitrile, 2-(1-Ethoxyethylidene)malononitrile, 2-(1-ethoxyethylidene)propanedinitrile, Propanedinitrile, (1-ethoxyethylidene)-, 1-Ethoxyethylidenemalononitrile, (1-Ethoxyethylidene)propanedinitrile, 2-(1-ethoxyethylidene)-Propanedinitrile, EINECS 226-521-5, NSC 11585, BRN 0906913, Propanedinitrile, 2-(1-ethoxyethylidene)-, (ethoxyethylidene)methane-1,1-dicarbonitrile, Malononitrile, (1-ethoxyethylidene)- (6CI,7CI,8CI), (1-Ethoxyethylidene)malononitrile, 99+%, NSC11585, ACMC-1BH5L, AC1L2XF4, AC1Q4QC6, 4-03-00-01196 (Beilstein Handbook Reference), KSC496E3H, SCHEMBL565895, 1-ethoxyethylidene malononitrile, DTXSID1063855, CTK3J6233, BOSVWXDDFBSSIZ-UHFFFAOYSA-N, (1-Ethoxy-ethylidene)malononitrile, 1,1-Dicyan-2-ethoxy- propen-1, HMS1755N19, 2-(1-Ethoxyethenyl)-malononitrile, KS-00000F9E, ZERO/005544, ZINC3008615, ANW-31988, MFCD00001852, NSC-11585, SBB013479, STK774054, 2-(1-ethoxyethylidene) malononitrile, 2-(1-ethoxyethylidene)malono-nitrile, AKOS001063089, 2-(1-Ethoxy-ethylidene)-malononitrile, CS-W008403, MCULE-7884986397, RTR-019160, VZ20012, (1-Ethoxyethylidene)malononitrile, 98%, AJ-44335, AK-35572, CJ-10533, Propanedinitrile,2-(1-ethoxyethylidene)-, SC-52770, (1-Ethoxyethylidene)propane-1,3-dinitrile, AB0002414, DB-052505, LS-120021, ST4094306, TR-019160, 4CH-006719, AM20100336, FT-0604512, ST24027426, X6992, 2K-004, alpha-Cyano-beta-methyl-beta-ethoxyacrylonitrile, K-9785, 143941-EP2287165A2, 143941-EP2287166A2, 143941-EP2292620A2, A830014, I14-9268, J-505323, Z56983070, InChI=1/C7H8N2O/c1-3-10-6(2)7(4-8)5-9/h3H2,1-2H, Ethoxyethylidene malononitrile, C7H8N2O, C7-H8-N2-O, CID79450, AR-1I7825, ACN-040542, CS-4334, (1-Ethoxyethylidene)malononitrile, 98% - 5G 5g, 65059-91-8,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.064g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.154g/mol
Monoisotopic Mass	136.064g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number