(3-Phenylprop-1-en-1-yl)boronic acid

HCID 53399115

Notes Reactions

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Basic information

CAS: 214907-30-9
Standard SMILES: OB(O)C=CCc1ccccc1
InChIKey: GMGWFDHLFMBIDS-UHFFFAOYSA-N
Molecular formula: C9H11BO2
Average molar mass: 162 g/mol
Monoisotopic mass: 162.0852098

Names & identifiers

Preferred name: (3-Phenylprop-1-en-1-yl)boronic acid
IUPAC: 3-phenylprop-1-enylboronic acid

Names & synonyms

(3-Phenylprop-1-en-1-yl)boronic acid214907-30-93-phenylprop-1-enylboronic acid[(1Z)-3-phenylprop-1-en-1-yl]boronic acidSCHEMBL2207335DTXSID301382371AKOS030230667CID 53399115B-(3-Phenyl-1-propen-1-yl)boronic acid

Database identifiers

CAS: 214907-30-9
PubChem CID: 53399115
DTXSID: DTXSID301382371

Properties

Computed structural propertiesFilling in

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Related reactions

3 records

New reaction record

HRID 145047As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 195302As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 302338As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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