Ethyl 2-Isocyanatopropanoate - CAS 13794-28-0
Catalog: |
BB008687 |
Product Name: |
Ethyl 2-Isocyanatopropanoate |
CAS: |
13794-28-0 |
Synonyms: |
2-isocyanatopropanoic acid ethyl ester; ethyl 2-isocyanatopropanoate |
IUPAC Name: | ethyl 2-isocyanatopropanoate |
Description: | Ethyl 2-Isocyanatopropanoate (CAS# 13794-28-0) is a useful research chemical. |
Molecular Weight: | 143.14 |
Molecular Formula: | C6H9NO3 |
Canonical SMILES: | CCOC(=O)C(C)N=C=O |
InChI: | InChI=1S/C6H9NO3/c1-3-10-6(9)5(2)7-4-8/h5H,3H2,1-2H3 |
InChI Key: | PFIQRPNWLUAMOF-UHFFFAOYSA-N |
Boiling Point: | 166.1 °C at 760 mmHg |
MDL: | MFCD00078449 |
LogP: | 0.27380 |
Publication Number | Title | Priority Date |
CN-107876092-A | The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate | 20171124 |
CN-107417719-A | A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate | 20170508 |
CA-2965804-A1 | Dihydropyrimidine-2-one compounds and medicinal uses thereof | 20141212 |
EP-3230267-A1 | Five-membered c-n bonded aryl sulphide and aryl sulphoxide derivatives as pest control agents | 20141211 |
EP-3230267-B1 | Five-membered c-n linked arylsulfide and arylsulfoxide derivatives as pesticides | 20141211 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.058243149 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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