Methyl 6-Oxoheptanoate - CAS 2046-21-1
Catalog: |
BB015991 |
Product Name: |
Methyl 6-Oxoheptanoate |
CAS: |
2046-21-1 |
Synonyms: |
6-oxoheptanoic acid methyl ester; methyl 6-oxoheptanoate |
IUPAC Name: | methyl 6-oxoheptanoate |
Description: | Methyl 6-Oxoheptanoate (CAS# 2046-21-1) is a useful research chemical. |
Molecular Weight: | 158.19 |
Molecular Formula: | C8H14O3 |
Canonical SMILES: | CC(=O)CCCCC(=O)OC |
InChI: | InChI=1S/C8H14O3/c1-7(9)5-3-4-6-8(10)11-2/h3-6H2,1-2H3 |
InChI Key: | BSBYQAYWPXHLPQ-UHFFFAOYSA-N |
Boiling Point: | 227.3 °C at 760 mmHg |
Density: | 0.981 g/cm3 |
Appearance: | Colorless to yellow liquid |
LogP: | 1.30880 |
Publication Number | Title | Priority Date |
CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 20200306 |
WO-2020254603-A1 | CONJUGATES OF π-ELECTRON-PAIR-DONATING HETEROAROMATIC NITROGEN-COMPRISING COMPOUNDS | 20190621 |
WO-2020254609-A1 | Tyrosine kinase inhibitor conjugates | 20190621 |
WO-2020254612-A1 | Controlled-release tyrosine kinase inhibitor compounds with localized pd properties | 20190621 |
WO-2020254613-A1 | Controlled-release tyrosine kinase inhibitor compounds with localized pk properties | 20190621 |
PMID | Publication Date | Title | Journal |
22622388 | 20120801 | Synthesis of peptidomimetics, δ- and ε-lactam tetrazoles | Molecular diversity |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.094294304 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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