chempirical

B-Propylboronic acid

C3H9BO2CAS 17745-45-887.91 g/mol

Open in Covalent MOL file
BOHOH
Boronic acid

Properties

Molecular formula
C3H9BO2
Molar mass
87.91 g/mol
Exact mass
88.0696 Da
Melting point
107 °C
logP
-0.13Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
17745-45-8
SMILES
CCCB(O)O
InChIKey
JAQOMSTTXPGKTN-UHFFFAOYSA-N
InChI
InChI=1S/C3H9BO2/c1-2-3-4(5)6/h5-6H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Boronic acid, B-propyl-
  • 1-Propaneboronic acid
  • Boronic acid, propyl-
  • Propylboronic acid
  • Dihydroxy(propyl)boron
  • Dihydroxypropylborane
  • NSC 518339
  • n-Propylboronic acid
  • Propan-1-ylboronic acid
  • 1-Propylboronic acid

Work with B-Propylboronic 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

Butylboronic acid4426-47-567 % similar B-Pentylboronic acid4737-50-263 % similar B-Hexylboronic acid16343-08-160 % similar B-Octylboronic acid28741-08-460 % similar Tributylborane122-56-535 % similar Butane106-97-833 % similar 1-Pentenylboronic acid104376-24-132 % similar 2-Methylpropylboronic acid84110-40-732 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook