[(Z)-hex-1-enyl]boronic acid
Basic information
- CAS
54354-55-1- Standard SMILES
CCCC/C=C\B(O)O- InChIKey
GWFKSQSXNUNYAC-WAYWQWQTSA-N- Molecular formula
- C6H13BO2
- Average molar mass
- 127.98 g/mol
Names & identifiers
- Preferred name
- [(Z)-hex-1-enyl]boronic acid
- IUPAC
- [(Z)-hex-1-enyl]boronic acid
- English name
- Z-1-hexenylboronic acid
- Molecular formula
- C6H13BO2
- Molecular weight
- 127.98
Names & synonyms
54354-55-1SCHEMBL29955736(Z)-Hex-1-en-1-ylboronic acidAKOS006230069Z-1-hexenylboronic acidBoronic acid, B-(1Z)-1-hexen-1-yl-
Database identifiers
- CAS
54354-55-1- Nikkaji
- J773.884F
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 81.1
Physicochemical properties
- Boiling point
- 227.8 · 227.8±23.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.43(Predicted)
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Compound notes
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