Ethyl 2-(triphenylphosphoranylidene)propionate

• CAS: 5717-37-3
• Catalog Number: ACM5717373-1
• Category: Other Products
• Molecular Weight: 362.41
• Molecular Formula: C23H23O2P
• Synonyms: (Carbethoxyethylidene)triphenylphosphorane; (1-Ethoxycarbonylethylidene)triphenylphosphorane
• IUPAC Name: ethyl 2-(triphenyl-lambda5-phosphanylidene)propanoate
• Canonical SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
• InChI: KZENFXVDPUMQOE-UHFFFAOYSA-N
• InChI Key: InChI=1S/C23H23O2P/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,3H2,1-2H3
• Melting Point: 193-195 °C(lit.)
• Appearance: Solid
• Storage: 0-6°C
• Complexity: 454
• Covalently-Bonded Unit Count: 1
• EC Number: 227-215-4
• Exact Mass: 362.144g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 26
• Isomeric SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C
• Monoisotopic Mass: 362.144g/mol
• NSC Number: 76468
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 26.3A^2

Custom Q&A

What is the CAS number of Ethyl 2-(triphenylphosphoranylidene)propionate?

The CAS number is 5717-37-3.

How many hydrogen bond acceptors does Ethyl 2-(triphenylphosphoranylidene)propionate have?

It has 2 hydrogen bond acceptors.

What is the Canonical SMILES representation of Ethyl 2-(triphenylphosphoranylidene)propionate?

CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C

What is the molecular formula of Ethyl 2-(triphenylphosphoranylidene)propionate?

The molecular formula is C23H23O2P.

How many rotatable bonds does Ethyl 2-(triphenylphosphoranylidene)propionate have?

It has 6 rotatable bonds.

What is the IUPAC name of Ethyl 2-(triphenylphosphoranylidene)propionate?

The IUPAC name is ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate.

What is the molecular weight of Ethyl 2-(triphenylphosphoranylidene)propionate?

The molecular weight is 362.4g/mol.

How many defined atom stereocenters does Ethyl 2-(triphenylphosphoranylidene)propionate have?

It has 0 defined atom stereocenters.

What is the InChIKey of Ethyl 2-(triphenylphosphoranylidene)propionate?

The InChIKey is KZENFXVDPUMQOE-UHFFFAOYSA-N.

What are some synonyms for Ethyl 2-(triphenylphosphoranylidene)propionate?

Some synonyms include NSC76468, Ethyl 2-(triphenylphosphoranylidene)propanoate, and (Carbethoxyethylidine)triphenylphosphorane.