Basic information
- CAS
62591-72-4- Standard SMILES
CCCOC(=O)CP(=O)(O)O- InChIKey
IJDMZPXMWIFWON-UHFFFAOYSA-N- Molecular formula
- C5H11O5P
- Average molar mass
- 182.11 g/mol
- Monoisotopic mass
- 182.03441044
Names & identifiers
- Preferred name
- Acetic acid, phosphono-, 1-propyl ester
- IUPAC
- (2-oxo-2-propoxyethyl)phosphonic acid
Names & synonyms
Acetic acid, phosphono-, 1-propyl ester62591-72-41-Propyl phosphonoacetateAcetic acid, phosphono-, propyl ester(2-oxo-2-propoxyethyl)phosphonic acidSCHEMBL1408938CHEMBL3245437DTXSID60211630NSC294171NSC 294171NSC-294171(2-oxo-2-propoxy-ethyl)phosphonic acid
Database identifiers
- CAS
62591-72-4- PubChem CID
- 100384
- DTXSID
DTXSID60211630- ChEMBL
CHEMBL3245437
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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