Ethyl 2-cyano-3-methyl-2-butenoate - CAS 759-58-0
Catalog: |
BB035448 |
Product Name: |
Ethyl 2-cyano-3-methyl-2-butenoate |
CAS: |
759-58-0 |
Synonyms: |
ethyl 2-cyano-3-methylbut-2-enoate |
IUPAC Name: | ethyl 2-cyano-3-methylbut-2-enoate |
Description: | Ethyl 2-cyano-3-methyl-2-butenoate (CAS# 759-58-0) is a useful research chemical. |
Molecular Weight: | 153.18 |
Molecular Formula: | C8H11NO2 |
Canonical SMILES: | CCOC(=O)C(=C(C)C)C#N |
InChI: | InChI=1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3 |
InChI Key: | PZMDAADKKAXROL-UHFFFAOYSA-N |
Boiling Point: | 98-99 ℃ / 1 mmHg (lit.) |
Density: | 1.014 g/mL at 25 ℃ (lit.) |
MDL: | MFCD00009135 |
LogP: | 1.40948 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111276738-A | Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery | 20181205 |
CN-111276738-B | Asymmetric solid electrolyte, preparation method thereof and application thereof in high-voltage solid-state battery | 20181205 |
WO-2019204550-A1 | Isoindolines as hdac inhibitors | 20180420 |
AU-2019256422-A1 | Isoindolines as HDAC inhibitors | 20180420 |
BR-112020021353-A2 | ISOINDOLINS AS HDAC INHIBITORS | 20180420 |
PMID | Publication Date | Title | Journal |
22242695 | 20120203 | Phospha-Michael additions to activated internal alkenes: steric and electronic effects | The Journal of organic chemistry |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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