Basic information
- CAS
119012-04-3- Standard SMILES
CC(C)CC(O)P(=O)(O)O- InChIKey
AIJCQEYSBDDMHQ-UHFFFAOYSA-N- Molecular formula
- C5H13O4P
- Average molar mass
- 168.13 g/mol
- Monoisotopic mass
- 168.05514589
Names & identifiers
- Preferred name
- Phosphonic acid, (1-hydroxy-3-methylbutyl)-
- IUPAC
- (1-hydroxy-3-methylbutyl)phosphonic acid
Names & synonyms
119012-04-3(1-hydroxy-3-methylbutyl)phosphonic acidPhosphonic acid, (1-hydroxy-3-methylbutyl)-SCHEMBL5745180SCHEMBL27651573DTXSID30327939
Database identifiers
- CAS
119012-04-3- PubChem CID
- 397393
- DTXSID
DTXSID30327939
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…