Ethyl cis-(β-cyano)acrylate - CAS 40594-97-6
Catalog: |
BB024578 |
Product Name: |
Ethyl cis-(β-cyano)acrylate |
CAS: |
40594-97-6 |
Synonyms: |
ethyl (Z)-3-cyanoprop-2-enoate |
IUPAC Name: | ethyl (Z)-3-cyanoprop-2-enoate |
Description: | Ethyl cis-(β-cyano)acrylate (CAS# 40594-97-6) is a useful research chemical. |
Molecular Weight: | 125.13 |
Molecular Formula: | C6H7NO2 |
Canonical SMILES: | CCOC(=O)C=CC#N |
InChI: | InChI=1S/C6H7NO2/c1-2-9-6(8)4-3-5-7/h3-4H,2H2,1H3/b4-3- |
InChI Key: | AMQZZSZCLSVKLO-ARJAWSKDSA-N |
Boiling Point: | 215 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.044 g/mL at 25 ℃ (lit.) |
Appearance: | Colorless liquid |
MDL: | MFCD03428510 |
LogP: | 0.62928 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10879668-B1 | Solid state laser with conjugated oligomer active material | 20200309 |
US-2021147672-A1 | Crystallizable resins | 20191031 |
WO-2021087061-A2 | Crystallizable resins | 20191031 |
KR-20210036370-A | Resin composition suitable for printing and printing method | 20180720 |
AU-2018369759-A1 | KRas G12C inhibitors | 20171115 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 125.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.047678466 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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