Ethyl 3-[(2H-1,3-benzodioxol-5-yl)oxy]propanoate
Basic information
- CAS
82873-01-6- Standard SMILES
CCOC(=O)CCOc1ccc2c(c1)OCO2- InChIKey
KGRDTOGOKXQCEO-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- Ethyl 3-[(2H-1,3-benzodioxol-5-yl)oxy]propanoate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yloxy)propanoate
Names & synonyms
82873-01-6Ethyl 3-[(2H-1,3-benzodioxol-5-yl)oxy]propanoateDTXSID90655927AKOS005926881
Database identifiers
- CAS
82873-01-6- PubChem CID
- 43365271
- DTXSID
DTXSID90655927
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
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Compound notes
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