[Hydroxy(pyridin-4-yl)methyl]phosphonic acid
Basic information
- CAS
5422-73-1- Standard SMILES
O=P(O)(O)C(O)c1ccncc1- InChIKey
YLAIKVDOERQUIK-UHFFFAOYSA-N- Molecular formula
- C6H8NO4P
- Average molar mass
- 189.11 g/mol
- Monoisotopic mass
- 189.01909473
Names & identifiers
- Preferred name
- [Hydroxy(pyridin-4-yl)methyl]phosphonic acid
- IUPAC
- [hydroxy(pyridin-4-yl)methyl]phosphonic acid
Names & synonyms
[hydroxy(pyridin-4-yl)methyl]phosphonic acid5422-73-1(Hydroxy(pyridin-4-yl)methyl)phosphonic acidNSC10056CHEMBL68144SCHEMBL5666881DTXSID40278781NSC-10056
Database identifiers
- CAS
5422-73-1- PubChem CID
- 222952
- DTXSID
DTXSID40278781- ChEMBL
CHEMBL68144- Nikkaji
- J1.894.196A
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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