2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (4-chlorophenyl)methyl ester
Basic information
- CAS
3309-77-1- Standard SMILES
COP(=O)(OC)O/C(C)=C\C(=O)OCc1ccc(Cl)cc1- InChIKey
WQDBGIDCNHONNW-NTMALXAHSA-N- Molecular formula
- C13H16ClO6P
- Average molar mass
- 334.69 g/mol
- Monoisotopic mass
- 334.0373029
Names & identifiers
- Preferred name
- 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (4-chlorophenyl)methyl ester
- IUPAC
- (4-chlorophenyl)methyl (Z)-3-dimethoxyphosphoryloxybut-2-enoate
- English name
- Phosphoric acid dimethyl 1-(4-chlorobenzyloxycarbonyl)-1-propen-2-yl ester
- Molecular formula
- C13H16ClO6P
- Molecular weight
- 334.69
Names & synonyms
Shell SD 4,239BAS 4239ENT 24716BRN 25690323309-77-1Dimethyl phosphate 3-hydroxy-crotonic acid, p-chlorobenzyl esterSD 4,239p-Chlorobenzyl-3-hydroxycrotonate dimethyl phosphate1-(p-Chlorobenzyloxycarbonyl)-1-propen-2-yl-dimethylphosphateBenzyl alcohol, p-chloro-, 3-hydroxycrotonate, dimethyl phosphateCROTONIC ACID, 3-HYDROXY-, p-CHLOROBENZYL ESTER, DIMETHYL PHOSPHATEPhosphoric acid, dimethyl ester, ester with p-chlorobenzyl-3-hydroxycrotonate
Show more names
SD-4239BAS-4239ENT-24716Shell SD-4239
2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (4-chlorophenyl)methyl esterRefChem:2579312-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, (4-chlorophenyl)methyl ester (9CI)DTXSID001031565Phosphoric acid dimethyl 1-(4-chlorobenzyloxycarbonyl)-1-propen-2-yl ester
Database identifiers
- CAS
3309-77-1- PubChem CID
- 6433360
- DTXSID
DTXSID001031565
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 386.885 · 386.885±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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