Phosphonic acid, [3-(2-furanyl)-1-hydroxy-2-propenyl]-, dimethyl ester
Basic information
- CAS
66407-47-4- Standard SMILES
COP(=O)(OC)C(O)C=Cc1ccco1- InChIKey
NROBREGWPDWSHZ-UHFFFAOYSA-N- Molecular formula
- C9H13O5P
- Average molar mass
- 232.17 g/mol
- Monoisotopic mass
- 232.05006051
Names & identifiers
- Preferred name
- Phosphonic acid, [3-(2-furanyl)-1-hydroxy-2-propenyl]-, dimethyl ester
- IUPAC
- 1-dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol
Names & synonyms
66407-47-4Phosphonic acid, [3-(2-furanyl)-1-hydroxy-2-propenyl]-, dimethyl esterDTXSID10327937NCI60_037538dimethyl [3-(furan-2-yl)-1-hydroxyprop-2-en-1-yl]phosphonate
Database identifiers
- CAS
66407-47-4- PubChem CID
- 397383
- DTXSID
DTXSID10327937
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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