Basic information
- Standard SMILES
CCOP(C)(=O)CCC(=O)c1ccc(C(=O)O)cc1- InChIKey
RVIAFXYIGHZOAX-UHFFFAOYSA-N- Molecular formula
- C13H17O5P
- Average molar mass
- 284.24 g/mol
- Monoisotopic mass
- 284.08136064
Names & identifiers
- Preferred name
- 4-{3-[(Ethyloxy)(methyl)phosphoryl]propanoyl}benzoic acid
- IUPAC
- 4-[3-[ethoxy(methyl)phosphoryl]propanoyl]benzoic acid
Names & synonyms
SCHEMBL2211423RVIAFXYIGHZOAX-UHFFFAOYSA-N4-{3-[(ethyloxy)(methyl)phosphoryl]propanoyl}benzoic acid
Database identifiers
- PubChem CID
- 57925907
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Related reactions
2 records
Compound notes
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