Basic information
- Standard SMILES
Cc1ccc(C(=O)O)cc1B1OC(C)C(C)(C)O1- InChIKey
KIJXXKRGJYTACB-UHFFFAOYSA-N- Molecular formula
- C13H17BO4
- Average molar mass
- 248.08 g/mol
- Monoisotopic mass
- 248.1219892
Names & identifiers
- Preferred name
- 4-Methyl-3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- IUPAC
- 4-methyl-3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Names & synonyms
SCHEMBL9941903KIJXXKRGJYTACB-UHFFFAOYSA-N4-methyl-3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
Database identifiers
- PubChem CID
- 67976394
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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