Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate - CAS 13148-05-5
Catalog: |
BB043382 |
Product Name: |
Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate |
CAS: |
13148-05-5 |
Synonyms: |
3-Oxo-4-(triphenylphosphoranylidene)butanoic acid ethyl ester, 4-(Triphenylphosphoranylidene)acetoacetic acid ethyl ester, [3-(Ethoxycarbonyl)-2-oxopropylidene]triphenylphosphorane |
IUPAC Name: | ethyl 3-oxo-4-(triphenyl-λ5-phosphanylidene)butanoate |
Description: | Ethyl 3-oxo-4-(triphenylphosphoranylidene)butyrate (CAS# 13148-05-5 ) is a useful research chemical. |
Molecular Weight: | 390.41 |
Molecular Formula: | C24H23O3P |
Canonical SMILES: | CCOC(=O)CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C24H23O3P/c1-2-27-24(26)18-20(25)19-28(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19H,2,18H2,1H3 |
InChI Key: | QYXSFVCJCUXGJH-UHFFFAOYSA-N |
Boiling Point: | 544 °C at 760 mmHg |
Melting Point: | 101-106 °C |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
Appearance: | Off-white powder |
Complexity: | 512 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 390.13848159 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.13848159 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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