Methyl 1-cyclopentene-1-carboxylate - CAS 25662-28-6
Catalog: |
BB018997 |
Product Name: |
Methyl 1-cyclopentene-1-carboxylate |
CAS: |
25662-28-6 |
Synonyms: |
methyl cyclopentene-1-carboxylate |
IUPAC Name: | methyl cyclopentene-1-carboxylate |
Description: | Methyl 1-cyclopentene-1-carboxylate (CAS# 25662-28-6) is used in the olefination of electorn-deficient arenes. Also used in the highly selective method for the oxidation of enediones. |
Molecular Weight: | 126.15 |
Molecular Formula: | C7H10O2 |
Canonical SMILES: | COC(=O)C1=CCCC1 |
InChI: | InChI=1S/C7H10O2/c1-9-7(8)6-4-2-3-5-6/h4H,2-3,5H2,1H3 |
InChI Key: | VTYCAXIAUKEGBQ-UHFFFAOYSA-N |
Boiling Point: | 76-78 °C / 9 mmHg (lit.) |
Density: | 1.031 g/mL at 20 °C (lit.) |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00239506 |
LogP: | 1.26970 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
19966921 | 20091118 | Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors | The open medicinal chemistry journal |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.068079557 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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