Methyl 4-pentenoate - CAS 818-57-5
Catalog: |
BB036711 |
Product Name: |
Methyl 4-pentenoate |
CAS: |
818-57-5 |
Synonyms: |
methyl pent-4-enoate |
IUPAC Name: | methyl pent-4-enoate |
Description: | Methyl 4-pentenoate (CAS# 818-57-5) is used in the preparation of 2,4-dienoates. |
Molecular Weight: | 114.14 |
Molecular Formula: | C6H10O2 |
Canonical SMILES: | COC(=O)CCC=C |
InChI: | InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3 |
InChI Key: | SHCSFZHSNSGTOP-UHFFFAOYSA-N |
Boiling Point: | 96.2 ℃ at 760 mmHg |
Density: | 0.904 g/cm3 |
Solubility: | 3649 mg/L at 25 °C (est) |
Appearance: | Colourless liquid |
MDL: | MFCD03990590 |
LogP: | 1.12560 |
GHS Hazard Statement: | H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112961101-A | Novel hindered amine light stabilizer and preparation method and application thereof | 20210305 |
CN-111608020-A | Super-soft medical crepe paper and preparation method thereof | 20200429 |
WO-2021082901-A1 | Phenylisoxazoline compound and use thereof | 20191029 |
WO-2021039463-A1 | Dopant, electroconductive composition and method for producing same | 20190823 |
WO-2020181050-A1 | Compounds, compositions, and methods for the treatment of disease | 20190305 |
Complexity: | 86.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.068079557 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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