3-Methoxyacrylonitrile, mixture of isomers - CAS 60838-50-8
Catalog: |
BB030832 |
Product Name: |
3-Methoxyacrylonitrile, mixture of isomers |
CAS: |
60838-50-8 |
Synonyms: |
(E)-3-methoxyprop-2-enenitrile |
IUPAC Name: | (E)-3-methoxyprop-2-enenitrile |
Description: | 3-Methoxyacrylonitrile, mixture of isomers (CAS# 60838-50-8) is a useful research chemical. |
Molecular Weight: | 83.09 |
Molecular Formula: | C4H5NO |
Canonical SMILES: | COC=CC#N |
InChI: | InChI=1S/C4H5NO/c1-6-4-2-3-5/h2,4H,1H3/b4-2+ |
InChI Key: | IPCRTSDORDQHRO-DUXPYHPUSA-N |
Boiling Point: | 189 ℃ |
Density: | 0.99 g/cm3 |
Appearance: | Colorless to light yellow clear liquid |
LogP: | 0.67008 |
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 |
WO-2021184790-A1 | Cathode and cathode slurry for secondary battery | 20200320 |
WO-2021185183-A1 | Cathode and cathode slurry for secondary battery | 20200320 |
CN-112851664-A | Pyrazolo [1,5-a ] pyridine-3-nitrile compound and application thereof in medicine | 20191112 |
WO-2021093720-A1 | Pyrazole[1,5-a]pyridine-3-nitrile compound and pharmaceutical use thereof | 20191112 |
CN-112409385-A | Azaaryl compounds and uses thereof | 20190822 |
Complexity: | 87 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 83.037113783 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 83.037113783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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