| CAS Number | 66066-39-5 |
| Catalog Number | AG00FCIJ(AGN-PC-09T1V7) |
| Chemical Name | ethyl 4-cyano-3-methylbut-3-enoate |
| IUPAC Name | ethyl 4-cyano-3-methylbut-3-enoate |
| InChI | InChI=1S/C8H11NO2/c1-3-11-8(10)6-7(2)4-5-9/h4H,3,6H2,1-2H3 |
| InChI Key | WMCPTBJPTGUIFX-UHFFFAOYSA-N |
| MDL Number | MFCD03425863 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CCOC(CC(C)=CC#N)=O |
| Synonyms | 66066-39-5,
Ethyl 4-cyano-3-methylbut-3-enoate,
4-CYANO-3-METHYL-BUT-3-ENOIC ACID ETHYL ESTER,
CTK5C3459,
DTXSID20699273,
3-methyl-4-cyano-3-butenoic acid ethyl ester,
Z2350907383,
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| Complexity | 209 |
| 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 | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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