Ethyl 6-(diethylphosphono)hexanoate - CAS 54965-29-6
Catalog: |
BB028871 |
Product Name: |
Ethyl 6-(diethylphosphono)hexanoate |
CAS: |
54965-29-6 |
Synonyms: |
ethyl 6-diethoxyphosphorylhexanoate |
IUPAC Name: | ethyl 6-diethoxyphosphorylhexanoate |
Description: | Ethyl 6-(diethylphosphono)hexanoate (CAS# 54965-29-6) is an essential oil component from the flowers of Alstonia scholaris in Bangladesh. |
Molecular Weight: | 280.30 |
Molecular Formula: | C12H25O5P |
Canonical SMILES: | CCOC(=O)CCCCCP(=O)(OCC)OCC |
InChI: | InChI=1S/C12H25O5P/c1-4-15-12(13)10-8-7-9-11-18(14,16-5-2)17-6-3/h4-11H2,1-3H3 |
InChI Key: | YFXDHFXPPUPIKR-UHFFFAOYSA-N |
Boiling Point: | 114-118 °C / 0.3 mmHg |
Density: | 1.040 g/mL at 25°C |
Appearance: | Colorless to yellow liquid |
LogP: | 3.37600 |
Publication Number | Title | Priority Date |
CN-111004698-A | Preparation method of rosa roxburghii honey fruit wine | 20191231 |
CN-108314676-B | Amino pyridine derivative containing hydroxamic acid fragment and anti-tumor application thereof | 20170118 |
US-2018147219-A1 | Enolase inhibitors and methods of treatment therewith | 20150309 |
AU-2004294361-A1 | Processes for the production of packaging material for transporting and storing perishable goods | 20031203 |
CA-2549227-A1 | Processes for the production of packaging material for transporting and storing perishable goods | 20031203 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 280.14396089 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 280.14396089 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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