Methyl 2-(triphenylphosphoranyl)propanoate

• Catalog Number: ACM2689625
• Product Name: Methyl 2-(triphenylphosphoranyl)propanoate
• CAS: 2689-62-5
• Category: Heterocyclic Organic Compound
• Synonyms: NSC136105; SCHEMBL3641655; DB-050404; (1-Methoxycarbonylethyl)triphenylphosphonium; (2-methoxy-1-methyl-2-oxo-ethyl)-triphenyl-phosphonium; NSC 136105
• IUPAC Name: (1-methoxy-1-oxopropan-2-yl)-triphenylphosphanium
• Molecular Weight: 349.39g/mol
• Molecular Formula: C22H22O2P+
• Canonical SMILES: CC(C(=O)OC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
• InChI: InChI=1S/C22H22O2P/c1-18(22(23)24-2)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3/q+1
• InChI Key: MEWCABWAYWMDNW-UHFFFAOYSA-N
• Complexity: 372
• Covalently-Bonded Unit Count: 1
• Exact Mass: 349.136g/mol
• Formal Charge: 1
• H-Bond Acceptor: 2
• Heavy Atom Count: 25
• Monoisotopic Mass: 349.136g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 26.3A^2
• Undefined Atom Stereocenter Count: 1