AG003QEL

40594-97-6 | Ethyl cis-(beta-cyano)acrylate

AG003QEL

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CAS Number	40594-97-6
Catalog Number	AG003QEL(AGN-PC-0OA5RZ)
Chemical Name	Ethyl cis-(beta-cyano)acrylate
IUPAC Name	ethyl (Z)-3-cyanoprop-2-enoate
InChI	InChI=1S/C6H7NO2/c1-2-9-6(8)4-3-5-7/h3-4H,2H2,1H3/b4-3-
InChI Key	AMQZZSZCLSVKLO-ARJAWSKDSA-N
MDL Number	MFCD03428510
Molecular Formula	C6H7NO2
Molecular Weight	125.1253
SMILES	O=C(OCC)/C=CC#N
Synonyms	Ethyl cis-(beta-cyano)acrylate, 40594-97-6, ethyl cis-beta-cyanoacrylate, ethyl cis-3-cyanoacrylate, z-ethyl-3-cyanoacrylate, ethyl cis-b-cyanoacrylate, (Z)-ethyl 3-cyanoacrylate, SCHEMBL600328, Ethyl cis-(|A-cyano)acrylate, DTXSID50574726, AMQZZSZCLSVKLO-ARJAWSKDSA-N, ethyl (Z)-3-cyanoprop-2-enoate, Ethyl (2Z)-3-cyanoprop-2-enoate, 5510AB, ZINC25695652, (Z)-3-Cyanoacrylic acid ethyl ester, (Z)-3-cyano-acrylic acid ethyl ester, AKOS015999145, Ethyl cis-(beta-cyano)acrylate, 97%, AJ-82034, SC-69583, (Z)-3-cyano-2-propenoic acid ethyl ester, AB0109740, ST2407005, 594E976, A825190, C6H7NO2,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	125.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	125.127g/mol
Monoisotopic Mass	125.048g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3082

Certificate of Analysis

Lot Number