Basic information
- CAS
214907-11-6- Standard SMILES
C=C(B(O)O)c1ccc(C)cc1- InChIKey
VTRVDMRAVCICNC-UHFFFAOYSA-N- Molecular formula
- C9H11BO2
- Average molar mass
- 162 g/mol
- Monoisotopic mass
- 162.0852098
Names & identifiers
- Preferred name
- [1-(4-Methylphenyl)ethenyl]boronic acid
- IUPAC
- 1-(4-methylphenyl)ethenylboronic acid
Names & synonyms
(1-(p-Tolyl)vinyl)boronic acidSCHEMBL2351508DTXSID30726009[1-(4-Methylphenyl)ethenyl]boronic acid[1-(4-Methylphenyl)ethen-1-yl]boronic acid
Database identifiers
- CAS
214907-11-6- PubChem CID
- 57416331
- DTXSID
DTXSID30726009
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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