Ethyl 6-(diethylphosphono)hexanoate - CAS 54965-29-6

Catalog:	BB028871
Product Name:	Ethyl 6-(diethylphosphono)hexanoate
CAS:	54965-29-6
Synonyms:	ethyl 6-diethoxyphosphorylhexanoate

Technical Data

Patents

Computed Properties

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

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[65514-03-6]
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[55552-24-4]
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[28845-75-2]
Ethyl 2,2-dibromodiethylphosphonoacetate

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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