cis-Propenylboronic acid

HCID 236540

Notes Reactions

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Basic information

Standard SMILES: CC=CB(O)O
InChIKey: CBMCZKMIOZYAHS-UHFFFAOYSA-N
Molecular formula: C3H7BO2
Average molar mass: 85.9 g/mol

Names & identifiers

Preferred name: cis-Propenylboronic acid
IUPAC: prop-1-enylboronic acid

Names & synonyms

prop-1-enylboronic acidC3H7BO2Boronic acid, 1-propenyl-, (E)-[(1Z)-prop-1-en-1-yl]boronic acid6336-44-3propenyl boronic acidSCHEMBL10774CBMCZKMIOZYAHS-UHFFFAOYSA-NAKOS028109700AB11274

Database identifiers

PubChem CID: 236540

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 50.8

Related reactions

27 records

New reaction record

HRID 99636As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107330As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114805As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121550As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125263As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 139357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 141084As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 145440As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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