Basic information
- CAS
62591-73-5- Standard SMILES
CCCCCCCCOC(=O)CP(=O)(O)O- InChIKey
GSWLMKIHGUBTJZ-UHFFFAOYSA-N- Molecular formula
- C10H21O5P
- Average molar mass
- 252.24 g/mol
- Monoisotopic mass
- 252.11266076
Names & identifiers
- Preferred name
- Acetic acid, phosphono-, 1-octyl ester
- IUPAC
- (2-octoxy-2-oxoethyl)phosphonic acid
Names & synonyms
1-Octyl phosphonoacetateAcetic acid, phosphono-, 1-octyl ester62591-73-5DTXSID20211631NSC 294172RefChem:316688DTXCID50134122[2-(octyloxy)-2-oxoethyl]phosphonic acidoctylphosphonoacetateCHEMBL3245438SCHEMBL11682923NSC294172
Show more names
NSC-294172
Database identifiers
- CAS
62591-73-5- PubChem CID
- 100385
- DTXSID
DTXSID20211631- ChEMBL
CHEMBL3245438
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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