2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (Z)-

Base Information

• Chemical Name: 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (Z)-
• CAS No.: 29900-31-0
• Molecular Formula: C14H19O6P
• Molecular Weight: 314.27100
• DSSTox Substance ID: DTXSID201332230
• Nikkaji Number: J126.522I,J34.913E
• Mol file: 29900-31-0.mol

Synonyms:29900-31-0;2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (Z)-;SCHEMBL10932840;Crotonic acid, 3-hydroxy-, .alpha.-methylbenzyl ester, dimethyl phosphate, (Z)-;DTXSID201332230;1-phenylethyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate

Chemical Property of 2-Butenoic acid, 3-[(dimethoxyphosphinyl)oxy]-, 1-phenylethyl ester, (Z)-

Chemical Property:

• PSA: 80.87000
• LogP: 3.61210
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 314.09192532
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

99.90% ^*data from raw suppliers

cis-Crotoxyphos ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)OC(=O)C=C(C)OP(=O)(OC)OC
• Isomeric SMILES: CC(C1=CC=CC=C1)OC(=O)/C=C(/C)\OP(=O)(OC)OC

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