Methyl 5-hexenoate - CAS 2396-80-7
Catalog: |
BB018268 |
Product Name: |
Methyl 5-hexenoate |
CAS: |
2396-80-7 |
Synonyms: |
methyl hex-5-enoate |
IUPAC Name: | methyl hex-5-enoate |
Description: | Methyl 5-hexenoate (CAS# 2396-80-7) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | COC(=O)CCCC=C |
InChI: | InChI=1S/C7H12O2/c1-3-4-5-6-7(8)9-2/h3H,1,4-6H2,2H3 |
InChI Key: | ASKDFGVMJZMYEM-UHFFFAOYSA-N |
Boiling Point: | 157 °C |
Density: | 0.91 g/cm3 |
MDL: | MFCD00671538 |
LogP: | 1.51570 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112079759-A | Caprolactam production device and production method | 20200902 |
CN-112079760-A | Method and system for refining caprolactam | 20200902 |
CN-112142670-A | Preparation method of caprolactam | 20200902 |
JP-2021113174-A | A metal complex, a catalyst component for olefin polymerization containing the metal complex, a catalyst for olefin polymerization, and a method for producing an olefin polymer and a copolymer using the metal complex. | 20200120 |
WO-2021092371-A2 | Extrahepatic delivery | 20191106 |
Complexity: | 97.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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