Ethyl 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylate - CAS 2286-56-8
Catalog: |
BB017777 |
Product Name: |
Ethyl 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylate |
CAS: |
2286-56-8 |
Synonyms: |
(E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid ethyl ester; ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate |
IUPAC Name: | ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate |
Description: | Ethyl 3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylate (CAS# 2286-56-8) is a useful research chemical. |
Molecular Weight: | 245.23 |
Molecular Formula: | C13H11NO4 |
Canonical SMILES: | CCOC(=O)C(=CC1=CC2=C(C=C1)OCO2)C#N |
InChI: | InChI=1S/C13H11NO4/c1-2-16-13(15)10(7-14)5-9-3-4-11-12(6-9)18-8-17-11/h3-6H,2,8H2,1H3/b10-5+ |
InChI Key: | RYGTWDAUOUMNRA-BJMVGYQFSA-N |
Boiling Point: | 397.1 °C at 760 mmHg |
Density: | 1.305 g/cm3 |
MDL: | MFCD00022988 |
LogP: | 1.88538 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016024289-A1 | Modified heterophasic polyolefin composition | 20140725 |
US-9410035-B2 | Modified heterophasic polyolefin composition | 20140725 |
WO-2016014122-A1 | Modified heterophasic polyolefin composition | 20140725 |
EP-3172272-B1 | Modified heterophasic polyolefin composition | 20140725 |
US-2007298348-A1 | Silver Halide Color Photographic Light-Sensitive Material and Image Forming Method | 20040824 |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 245.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.06880783 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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