Basic information
- CAS
5460-52-6- Standard SMILES
CCOP(=O)(OCC)Oc1ccc2c(c1)OCO2- InChIKey
UIZVRCFBAYXMGM-UHFFFAOYSA-N- Molecular formula
- C11H15O6P
- Average molar mass
- 274.21 g/mol
- Monoisotopic mass
- 274.06062519
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-yl diethyl phosphate
- IUPAC
- 1,3-benzodioxol-5-yl diethyl phosphate
Names & synonyms
1,3-benzodioxol-5-yl diethyl phosphate5460-52-6DTXSID20281516RefChem:217835DTXCID30232670Phosphoricacid, 1,3-benzodioxol-5-yl diethyl esterNSC21868SCHEMBL20710753NSC-218682H-1,3-BENZODIOXOL-5-YL DIETHYL PHOSPHATE
Database identifiers
- CAS
5460-52-6- PubChem CID
- 228751
- DTXSID
DTXSID20281516
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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