2,4,6-Trihydroxybenzoic acid monohydrate
Properties
- Molecular formula
- C7H8O6
- Molar mass
- 188.13 g/mol
- Exact mass
- 188.0321 Da
- logP
- -0.32Crippen estimate
- Polar surface area
- 129.5 Ų
- H-bond donors / acceptors
- 4 / 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 42 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
71989-93-0SMILES
C1=C(C=C(C(=C1O)C(=O)O)O)O.OInChIKey
HWZIRFCGHAROOI-UHFFFAOYSA-NInChI
InChI=1S/C7H6O5.H2O/c8-3-1-4(9)6(7(11)12)5(10)2-3;/h1-2,8-10H,(H,11,12);1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,4,6-Trihydroxybenzoic acid 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
2',4',6'-Trihydroxyacetophenone monohydrate249278-28-259 % similar
2,6-Dihydroxy-4-methylbenzoic acid480-67-158 % similar
2,6-Dihydroxybenzoic acid303-07-153 % similar
2,6-Difluoro-4-hydroxybenzoic acid214917-68-753 % similar
4-Hydroxy-2,6-dimethylbenzoic acid75056-97-253 % similar
Olivetolic acid491-72-553 % similar
2,4-Dihydroxybenzoic acid89-86-152 % similar
2′,4′,6′-Trihydroxyacetophenone480-66-050 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.