Octyl cyanoacetate - CAS 15666-97-4
Catalog: |
BB011244 |
Product Name: |
Octyl cyanoacetate |
CAS: |
15666-97-4 |
Synonyms: |
octyl 2-cyanoacetate |
IUPAC Name: | octyl 2-cyanoacetate |
Description: | Octyl cyanoacetate (CAS# 15666-97-4) is a useful research chemical. |
Molecular Weight: | 197.27 |
Molecular Formula: | C11H19NO2 |
Canonical SMILES: | CCCCCCCCOC(=O)CC#N |
InChI: | InChI=1S/C11H19NO2/c1-2-3-4-5-6-7-10-14-11(13)8-9-12/h2-8,10H2,1H3 |
InChI Key: | MBCTWXWDQMXVDF-UHFFFAOYSA-N |
Boiling Point: | 95 °C (0.11 mmHg) |
Density: | 0.934 g/cm3 |
Appearance: | Colorless liquid |
MDL: | MFCD00075425 |
LogP: | 2.80378 |
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 |
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PMID | Publication Date | Title | Journal |
22989014 | 20121003 | Small molecules based on benzo[1,2-b:4,5-b']dithiophene unit for high-performance solution-processed organic solar cells | Journal of the American Chemical Society |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.141578849 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.141578849 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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