2'-Hydroxyacetophenone
Properties
- Molecular formula
- C8H8O2
- Molar mass
- 136.15 g/mol
- Exact mass
- 136.0524 Da
- Density
- 1.127–1.133 g/mL
- Melting point
- 4–6 °C
- Boiling point
- 215–220 °C
- logP
- 1.59Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed10.4% of notifiers
- H315 Causes skin irritation19.9% of notifiers
- H319 Causes serious eye irritation19.9% of notifiers
- H335 May cause respiratory irritation19.5% of notifiers
Aggregated from 251 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
104809-67-8SMILES
CC(=O)C1=CC=CC=C1OInChIKey
JECYUBVRTQDVAT-UHFFFAOYSA-NInChI
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Work with 2'-Hydroxyacetophenone
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2',3'-Dihydroxyacetophenone28631-86-969 % similar
1,2-Diacetylbenzene704-00-767 % similar
2′-Amino-3′-hydroxyacetophenone4502-10-765 % similar
2',6'-Dihydroxyacetophenone699-83-261 % similar
2,2′-Dihydroxybenzophenone835-11-059 % similar
2,5-Dihydroxyacetophenone490-78-858 % similar
2′,4′-Dihydroxyacetophenone89-84-958 % similar
4,6-Diacetylresorcinol2161-85-557 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.