Diethyl trans-cinnamylphosphonate - CAS 52378-69-5
Catalog: |
BB043751 |
Product Name: |
Diethyl trans-cinnamylphosphonate |
CAS: |
52378-69-5 |
Synonyms: |
Diethyl cinnamylphosphonate E; Phosphonic acid, P-[(2E)-3-phenyl-2-propen-1-yl]-, diethyl ester; ACMC-20al8g; ACMC-1AV5Q |
IUPAC Name: | 3-diethoxyphosphorylprop-1-enylbenzene |
Description: | Diethyl trans-cinnamylphosphonate (CAS# 52378-69-5 ) is a useful research chemical. |
Molecular Weight: | 254.26 |
Molecular Formula: | C13H19O3P |
Canonical SMILES: | CCOP(=O)(CC=CC1=CC=CC=C1)OCC |
InChI: | InChI=1S/C13H19O3P/c1-3-15-17(14,16-4-2)12-8-11-13-9-6-5-7-10-13/h5-11H,3-4,12H2,1-2H3 |
InChI Key: | AWKOMEXJXBINBQ-UHFFFAOYSA-N |
Flash Point: | 228.0 °CF |
Purity: | 98 % |
Density: | 1.093 g/mL at 25 °C (lit.) |
Refractive Index: | n20/D 1.5280 (lit.) |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 254.10718146 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.10718146 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Phosphorus Compounds
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