Basic information
- CAS
1357387-99-5- Standard SMILES
OB(O)[13c]1[13cH][13cH][13c](O)[13cH][13cH]1- InChIKey
COIQUVGFTILYGA-IDEBNGHGSA-N- Molecular formula
- C6H7BO3
- Average molar mass
- 143.89 g/mol
- Monoisotopic mass
- 144.0689533
Names & identifiers
- Preferred name
- 4-Hydroxyphenylboronic acid-13C6, 99 atom % 13C, 97% (CP)
- IUPAC
- (4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)boronic acid
Names & synonyms
4-Hydroxyphenylboronic acid-13C6, 99 atom % 13C, 97% (CP)
Database identifiers
- CAS
1357387-99-5- PubChem CID
- 71309727
Properties
Computed structural properties
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 99.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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