Basic information
- CAS
18705-22-1- Standard SMILES
C#CCOP(=O)(OCCC)c1ccccc1- InChIKey
YSVDXOJUVQMPCX-UHFFFAOYSA-N- Molecular formula
- C12H15O3P
- Average molar mass
- 238.22 g/mol
- Monoisotopic mass
- 238.07588133
Overview
Propyl-2-propynylphenylphosphonate is an organic molecular entity.
Names & identifiers
- Preferred name
- Propyl 2-propyn-1-yl P-phenylphosphonate
- IUPAC
- [propoxy(prop-2-ynoxy)phosphoryl]benzene
Names & synonyms
Niagara 1638818705-22-1NIA-16388propyl 2-propyn-1-yl P-phenylphosphonateRefChem:930064Propyl-2-propynylphenylphosphonateFMC-16388NIA 16,388BRN 2848621propyl prop-2-yn-1-yl phenylphosphonate[propoxy(prop-2-ynoxy)phosphoryl]benzeneAI3-28923
Show more names
O-n-Propyl O-(2-propynyl) phenylphosphonatePhosphonic acid, phenyl-, propyl (2-propynyl) esterSCHEMBL4083029DTXSID80940172CHEBI:232437Propyl 2-propyn-1-yl phenylphosphonateO-propyl O-(2-propynyl) phenylphosphonate
Database identifiers
- CAS
18705-22-1- PubChem CID
- 87757
- DTXSID
DTXSID80940172- ChEBI
CHEBI:232437- Nikkaji
- J10.966E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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