2-[(6-Amino-1,3-benzodioxol-5-yl)oxy]ethanol
Basic information
- CAS
771438-06-3- Standard SMILES
Nc1cc2c(cc1OCCO)OCO2- InChIKey
OEUACZRWIBPKIJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
Names & identifiers
- Preferred name
- 2-[(6-Amino-1,3-benzodioxol-5-yl)oxy]ethanol
- IUPAC
- 2-[(6-amino-1,3-benzodioxol-5-yl)oxy]ethanol
- English name
- Ethanol, 2-[(6-amino-1,3-benzodioxol-5-yl)oxy]- (9CI)
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
771438-06-3SCHEMBL8948333DB-275803ETHANOL, 2-[(6-AMINO-1,3-BENZODIOXOL-5-YL)OXY]-Ethanol, 2-[(6-amino-1,3-benzodioxol-5-yl)oxy]- (9CI)
Database identifiers
- CAS
771438-06-3
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 190
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Compound notes
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