2',4',6'-Trihydroxyacetophenone monohydrate
Properties
- Molecular formula
- C8H10O5
- Molar mass
- 186.16 g/mol
- Exact mass
- 186.0528 Da
- logP
- 0.18Crippen estimate
- Polar surface area
- 109.3 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
249278-28-2SMILES
CC(=O)C1=C(C=C(C=C1O)O)O.OInChIKey
GDSIBPPJKSBCMF-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2',4',6'-Trihydroxyacetophenone monohydrate
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
3,5-Dihydroxy-4-acetyltoluene1634-34-061 % similar
2,4,6-Trihydroxybenzoic acid monohydrate71989-93-059 % similar
2,4-Diacetylphloroglucinol2161-86-658 % similar
2',6'-Dihydroxyacetophenone699-83-255 % similar
2′,4′-Dihydroxyacetophenone89-84-953 % similar
3,5-Dihydroxyacetophenone51863-60-652 % similar
Phloroglucinol carboxylic acid83-30-750 % similar
Flopropione2295-58-149 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.