Basic information
- CAS
166977-94-2- Standard SMILES
CCOP(=O)(OCC)OCc1ccc(C(=O)OC)cc1- InChIKey
GMGFTZJUJJDYPI-UHFFFAOYSA-N- Molecular formula
- C13H19O6P
- Average molar mass
- 302.26 g/mol
- Monoisotopic mass
- 302.09192532
Names & identifiers
- Preferred name
- Methyl 4-[[(diethoxyphosphinyl)oxy]methyl]benzoate
- IUPAC
- methyl 4-(diethoxyphosphoryloxymethyl)benzoate
Names & synonyms
166977-94-2Methyl 4-(((diethoxyphosphinyl)oxy)methyl)benzoateMethyl 4-[[(diethoxyphosphinyl)oxy]methyl]benzoateRefChem:355278Methyl 4-{[(diethoxyphosphoryl)oxy]methyl}benzoateSCHEMBL4248709DTXSID90707096DB-094635
Database identifiers
- CAS
166977-94-2- PubChem CID
- 53845751
- DTXSID
DTXSID90707096- Nikkaji
- J2.370.288F
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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