Basic information
- CAS
820233-24-7- Standard SMILES
COP(=O)(OC)C(O)C=CCOC(C)=O- InChIKey
PYXLZBLQORDJDU-UHFFFAOYSA-N- Molecular formula
- C8H15O6P
- Average molar mass
- 238.17 g/mol
- Monoisotopic mass
- 238.06062519
Names & identifiers
- Preferred name
- 4-(Dimethoxyphosphoryl)-4-hydroxybut-2-en-1-yl acetate
- IUPAC
- (4-dimethoxyphosphoryl-4-hydroxybut-2-enyl) acetate
Names & synonyms
820233-24-74-(Dimethoxyphosphoryl)-4-hydroxybut-2-en-1-yl acetateDTXSID30839628
Database identifiers
- CAS
820233-24-7- PubChem CID
- 71420439
- DTXSID
DTXSID30839628
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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