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Structure

2-Butenoic acid,2-cyano-3-methyl-,ethyl ester

CAS
759-58-0
Catalog Number
ACM759580
Category
Other Products
Molecular Weight
153.18
Molecular Formula
C8H11NO2

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Specification

Synonyms
Ethyl isopropylidene(cyano)acetate, 310581_ALDRICH, Ethyl 2-cyano-3-methylcrotonate, Ethyl 2-cyano-3-methyl-2-butenoate, NSC1074, NSC11260, 2-Butenoic acid, 2-cyano-3-methyl-, ethyl ester, CID136573, ethyl 2-cyano-3-methylbut-2-enoate, NSC127868, ZINC00409368, Crotonic acid, 2-cyano-3-methyl-, ethyl ester, ETHYL-2-CYANO-3-METHYLCROTONATE, 759-58-0, InChI=1/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H
IUPAC Name
ethyl 2-cyano-3-methylbut-2-enoate
Canonical SMILES
CCOC(=O)C(=C(C)C)C#N
InChI Key
PZMDAADKKAXROL-UHFFFAOYSA-N
Boiling Point
98-99ºC1 mm Hg(lit.)
Flash Point
224 °F
Density
1.014 g/mL at 25ºC(lit.)
Appearance
clear colorless to slightly yellow liquid
Exact Mass
153.07900
Hazard Statements
Xn
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
Safety Description
S26-S37-S39
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