Basic information
- Standard SMILES
CCCCCCc1cccc(B(O)O)c1O- InChIKey
CLRGKKTYPRERML-UHFFFAOYSA-N- Molecular formula
- C12H19BO3
- Average molar mass
- 222.09 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-3-hexylphenylboronic acid
- IUPAC
- (3-hexyl-2-hydroxyphenyl)boronic acid
Names & synonyms
SCHEMBL7233128CLRGKKTYPRERML-UHFFFAOYSA-N2-hydroxy-3-hexylphenylboronic acid3-hexyl-2-hydroxyphenylboronic acid
Database identifiers
- PubChem CID
- 18616969
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 187
Related reactions
8 records
Compound notes
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