Basic information
- CAS
60705-80-8- Standard SMILES
COC(=O)CCCP(=O)(OC)c1ccccc1- InChIKey
XXBBZRWWONWMTK-UHFFFAOYSA-N- Molecular formula
- C12H17O4P
- Average molar mass
- 256.23 g/mol
- Monoisotopic mass
- 256.08644602
Names & identifiers
- Preferred name
- Butanoic acid, 4-(methoxyphenylphosphinyl)-, methyl ester
- IUPAC
- methyl 4-[methoxy(phenyl)phosphoryl]butanoate
Names & synonyms
60705-80-8methyl 4-[methoxy(phenyl)phosphoryl]butanoateButanoic acid, 4-(methoxyphenylphosphinyl)-, methyl esterSCHEMBL17052738DTXSID80469616
Database identifiers
- CAS
60705-80-8- PubChem CID
- 11623006
- DTXSID
DTXSID80469616
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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