Propanoic acid,2-oxo-3-(triphenylphosphoranylidene)-, ethyl ester - CAS 13321-61-4
Catalog: |
BB043384 |
Product Name: |
Propanoic acid,2-oxo-3-(triphenylphosphoranylidene)-, ethyl ester |
CAS: |
13321-61-4 |
Synonyms: |
[2-(ETHOXYCARBONYL)-2-OXOETHYLIDENE]TRIPHENYLPHOSPHORANE; ETHYL (TRIPHENYLPHOSPHORANYLIDENE)PYRUVATE; Ethyl(triphenylphosphoranylid; [2-(Ethoxycarbonyl)-2-oxoethylidene]triphenylphosphorane , 95 % min.; Ethyl (triphenylphosphoranylidene)pyruvate,95% |
IUPAC Name: | ethyl 2-oxo-3-(triphenyl-λ5-phosphanylidene)propanoate |
Description: | Propanoic acid,2-oxo-3-(triphenylphosphoranylidene)-, ethyl ester (CAS# 13321-61-4 ) is a useful research chemical. |
Molecular Weight: | 376.38 |
Molecular Formula: | C23H21O3P |
Canonical SMILES: | CCOC(=O)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C23H21O3P/c1-2-26-23(25)22(24)18-27(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,2H2,1H3 |
InChI Key: | OQLOPRPWPANPIE-UHFFFAOYSA-N |
Boiling Point: | 524.6 °C at 760 mmHg |
Melting Point: | 175 °C (dec.)(lit.) |
Purity: | Min. 95 % |
Density: | 1.2 g/cm3 |
Appearance: | White to yellow powder or crystals |
Complexity: | 498 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 376.12283153 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 376.12283153 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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