Allyl oxycarbonylmethylene triphenylphosphorane - CAS 104127-76-6
Catalog: |
BB043341 |
Product Name: |
Allyl oxycarbonylmethylene triphenylphosphorane |
CAS: |
104127-76-6 |
Synonyms: |
Allyl (triphenylphosphoranylidene)acetate; Acetic acid, (triphenylphosphoranylidene)-, 2-propenyl ester; ACMC-1CHW3 |
IUPAC Name: | prop-2-enyl 2-(triphenyl-λ5-phosphanylidene)acetate |
Description: | Allyl oxycarbonylmethylene triphenylphosphorane (CAS# 104127-76-6 ) is a useful research chemical. |
Molecular Weight: | 360.39 |
Molecular Formula: | C23H21O2P |
Canonical SMILES: | C=CCOC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C23H21O2P/c1-2-18-25-23(24)19-26(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h2-17,19H,1,18H2 |
InChI Key: | JNQMUMNJRCNSAI-UHFFFAOYSA-N |
Melting Point: | 71-73 °C(lit.) |
Purity: | 95 % |
Complexity: | 454 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.12791691 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.12791691 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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