AG003Q3X

759-58-0 | Ethyl 2-cyano-3-methylbut-2-enoate

AG003Q3X

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CAS Number	759-58-0
Catalog Number	AG003Q3X(AGN-PC-0JJP73)
Chemical Name	Ethyl 2-cyano-3-methylbut-2-enoate
IUPAC Name	ethyl 2-cyano-3-methylbut-2-enoate
InChI	InChI=1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3
InChI Key	PZMDAADKKAXROL-UHFFFAOYSA-N
MDL Number	MFCD00009135
Molecular Formula	C8H11NO2
Molecular Weight	153.1784
SMILES	CC(C)=C(C#N)C(OCC)=O
Synonyms	759-58-0, ethyl 2-cyano-3-methylbut-2-enoate, Ethyl 2-cyano-3-methylcrotonate, Ethyl 2-cyano-3-methyl-2-butenoate, 2-Butenoic acid, 2-cyano-3-methyl-, ethyl ester, Ethyl isopropylidene(cyano)acetate, ethyl isopropylidenecyanoacetate, Crotonic acid, 2-cyano-3-methyl-, ethyl ester, PZMDAADKKAXROL-UHFFFAOYSA-N, 2-cyano-3-methyl-2-butenoic acid ethyl ester, 2-Cyano-3-methyl-but-2-enoic acid ethyl ester, ACMC-20al18, AC1L38TD, ethylisopropylidenecyanoacetate, AC1Q31Z3, SCHEMBL1261327, CTK5E2243, DTXSID20226821, NSC1074, ZINC409368, NSC-1074, NSC11260, MFCD00009135, NSC-11260, NSC127868, SBB007715, AKOS015838700, ethyl 2-cyano-3-methyl-but-2-enoate, AB00963, NSC-127868, VZ32048, Ethyl 2-cyano-3-methyl-2-butenoate #, ETHYL-2-CYANO-3-METHYLCROTONATE, CS-10174, ZB013975, DB-056001, Ethyl 2-cyano-3-methyl-2-butenoate, 97%, TR-024368, FT-0625951, 2-Butenoic acid,2-cyano-3-methyl-,ethyl ester, 2-Butenoic acid,2-cyano-3-methyl-, ethyl ester, A838562, I04-4079, InChI=1/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H, Crotonic acid, ethyl ester, 2-Butenoic acid, ethyl ester, CID136573, ETHYL2-CYANO-3-METHYLCROTONATE,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.079g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.181g/mol
Monoisotopic Mass	153.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	50.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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