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759-58-0 | Ethyl 2-cyano-3-methylbut-2-enoate
CAS No: 759-58-0 Catalog No: AG003Q3X MDL No:MFCD00009135
Product Description
Catalog Number:
AG003Q3X
Chemical Name:
Ethyl 2-cyano-3-methylbut-2-enoate
CAS Number:
759-58-0
Molecular Formula:
C8H11NO2
Molecular Weight:
153.1784
MDL Number:
MFCD00009135
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
SMILES:
CCOC(=O)C(=C(C)C)C#N
Properties
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
Literature
| Title | Journal |
|---|---|
| Phospha-Michael additions to activated internal alkenes: steric and electronic effects. | The Journal of organic chemistry 20120203 |
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