alpha-Acetoxyphenylacetonitrile - CAS 5762-35-6
Catalog: |
BB029772 |
Product Name: |
alpha-Acetoxyphenylacetonitrile |
CAS: |
5762-35-6 |
Synonyms: |
acetic acid [cyano(phenyl)methyl] ester; [cyano(phenyl)methyl] acetate |
IUPAC Name: | [cyano(phenyl)methyl] acetate |
Description: | alpha-Acetoxyphenylacetonitrile (CAS# 5762-35-6) is a useful research chemical, a cyanohydrin with insecticidal potential. |
Molecular Weight: | 175.18 |
Molecular Formula: | C10H9NO2 |
Canonical SMILES: | CC(=O)OC(C#N)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H9NO2/c1-8(12)13-10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3 |
InChI Key: | MUXDFYRMYMEGCM-UHFFFAOYSA-N |
Boiling Point: | 274 °C at 760 mmHg |
Density: | 1.145 g/cm3 |
LogP: | 1.81438 |
Publication Number | Title | Priority Date |
US-2010278715-A1 | Systems, Devices, and/or Methods Regarding Specific Precursors or Tube Control Agent for the Synthesis of Carbon Nanofiber and Nanotube | 20090429 |
CN-1769265-A | Alpha-cyano benzalcohol and alpha-cyano benzalcohol acetate mixture extraction and separation method | 20050929 |
EP-1511565-A2 | Catalyst and process for the cyanation of aldehydes | 20020524 |
WO-03099435-A2 | Catalyst and process for the cyanation of aldehydes | 20020524 |
US-2003199706-A1 | Process for the cyanation of aldehydes | 20000802 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06332853 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06332853 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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