Basic information
- Standard SMILES
CC(=O)[O-].CC(C)(O)C1CCC([NH3+])CC1- InChIKey
LFDLMIVJEBFNEK-UHFFFAOYSA-N- Molecular formula
- C11H23NO3
- Average molar mass
- 217.31 g/mol
- Monoisotopic mass
- 217.1677936
Names & identifiers
- Preferred name
- 4-(2-Hydroxyprop-2-yl)-cyclohexylammonium acetate
- IUPAC
- [4-(2-hydroxypropan-2-yl)cyclohexyl]azanium acetate
Names & synonyms
LFDLMIVJEBFNEK-UHFFFAOYSA-N4-(2-hydroxyprop-2-yl)-cyclohexylammonium acetate
Database identifiers
- PubChem CID
- 69307152
Properties
Computed structural properties
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 151
Related reactions
1 records
Compound notes
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