Diethyl 2-Vinylcyclopropane-1,1-dicarboxylate - CAS 7686-78-4
Catalog: |
BB035728 |
Product Name: |
Diethyl 2-Vinylcyclopropane-1,1-dicarboxylate |
CAS: |
7686-78-4 |
Synonyms: |
2-ethenylcyclopropane-1,1-dicarboxylic acid diethyl ester; diethyl 2-ethenylcyclopropane-1,1-dicarboxylate |
IUPAC Name: | diethyl 2-ethenylcyclopropane-1,1-dicarboxylate |
Description: | Diethyl 2-Vinylcyclopropane-1,1-dicarboxylate (CAS# 7686-78-4) is a novel anti-epileptic drug. Antidepressant; antipsychotic; anxiolytic. |
Molecular Weight: | 212.24 |
Molecular Formula: | C11H16O4 |
Canonical SMILES: | CCOC(=O)C1(CC1C=C)C(=O)OCC |
InChI: | InChI=1S/C11H16O4/c1-4-8-7-11(8,9(12)14-5-2)10(13)15-6-3/h4,8H,1,5-7H2,2-3H3 |
InChI Key: | UOQTXZICFVMERR-UHFFFAOYSA-N |
Boiling Point: | 230.6 °C at 760 mmHg |
Density: | 1.174 g/cm3 |
MDL: | MFCD00196937 |
LogP: | 1.30490 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113121357-A | 2-nitrovinyl cyclopropane compound and synthetic method thereof | 20210326 |
CN-113292594-A | Long-wave light-absorbing initiator | 20200221 |
CN-110713440-A | Preparation method of vigabatrin | 20180711 |
CN-111918969-A | Novel hydrolase and process for producing (1S,2S) -1-alkoxycarbonyl-2-vinylcyclopropanecarboxylic acid using the same | 20180330 |
JP-2019532139-A | Polymerizable composition containing acyl tin compound | 20160907 |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.10485899 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.10485899 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 52.6 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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