Basic information
- CAS
128412-18-0- Standard SMILES
CC=CC(O)P(=O)(OC)OC- InChIKey
ZTFCKDGCKRVFED-UHFFFAOYSA-N- Molecular formula
- C6H13O4P
- Average molar mass
- 180.14 g/mol
- Monoisotopic mass
- 180.05514589
Names & identifiers
- Preferred name
- 1-Dimethoxyphosphorylbut-2-en-1-ol
- IUPAC
- 1-dimethoxyphosphorylbut-2-en-1-ol
Names & synonyms
128412-18-01-dimethoxyphosphorylbut-2-en-1-olDTXSID70327938NCI60_037539dimethyl (1-hydroxybut-2-en-1-yl)phosphonate
Database identifiers
- CAS
128412-18-0- PubChem CID
- 397384
- DTXSID
DTXSID70327938
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…