Basic information
- CAS
51297-15-5- Standard SMILES
CCOP(=O)(Cn1cccc1)OCC- InChIKey
BPKGAASEONHMFO-UHFFFAOYSA-N- Molecular formula
- C9H16NO3P
- Average molar mass
- 217.2 g/mol
- Monoisotopic mass
- 217.08678037
Names & identifiers
- Preferred name
- Diethyl [(1H-pyrrol-1-yl)methyl]phosphonate
- IUPAC
- 1-(diethoxyphosphorylmethyl)pyrrole
Names & synonyms
51297-15-5Diethyl [(1H-pyrrol-1-yl)methyl]phosphonateSCHEMBL3134270DTXSID60512578BPKGAASEONHMFO-UHFFFAOYSA-Ndiethyl 1H-pyrrole-1-ylmethylphosphonate
Database identifiers
- CAS
51297-15-5- PubChem CID
- 12901830
- DTXSID
DTXSID60512578- Nikkaji
- J2.106.246D
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 194
Related reactions
1 records
Compound notes
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