chempirical

Styrylboronic acid

C8H9BO2CAS 6783-05-7147.97 g/mol

Open in Covalent MOL file
BHOHO
AlkeneBoronic acid

Properties

Molecular formula
C8H9BO2
Molar mass
147.97 g/mol
Exact mass
148.0696 Da
logP
0.71Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6783-05-7
SMILES
B(/C=C/C1=CC=CC=C1)(O)O
InChIKey
VKIJXFIYBAYHOE-VOTSOKGWSA-N
InChI
InChI=1S/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H/b7-6+

Weigh it out

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Names and synonyms

1 names
  • E-Phenylethenylboronic acid

Work with Styrylboronic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-2-(4-Chlorophenyl)vinylboronic acid154230-29-259 % similar trans-2-(4-Fluorophenyl)vinylboronic acid214907-24-159 % similar (E)-Stilbene103-30-052 % similar (Z)-Stilbene645-49-852 % similar 1,6-Diphenyl-1,3,5-hexatriene1720-32-748 % similar Trans,trans-1,4-diphenyl-1,3-butadiene538-81-848 % similar 1,4-Diphenyl-1,3-butadiene886-65-748 % similar trans-4-Hydroxystilbene6554-98-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

B-(2-Ethenylphenyl)boronic acid15016-42-9 (3-Vinylphenyl)boronic acid15016-43-0 4-Vinylphenylboronic acid2156-04-9

Elsewhere

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