Phloroglucinol carboxylic acid
Properties
- Molecular formula
- C7H6O5
- Molar mass
- 170.12 g/mol
- Exact mass
- 170.0215 Da
- Melting point
- 160–161 °C
- logP
- 0.50Crippen estimate
- Polar surface area
- 98.0 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 irritation97.5% of notifiers
Aggregated from 40 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
83-30-7SMILES
O=C(O)c1c(O)cc(O)cc1OInChIKey
IBHWREHFNDMRPR-UHFFFAOYSA-NInChI
InChI=1S/C7H6O5/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,8-10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzoic acid, 2,4,6-trihydroxy-
- 2,4,6-Trihydroxybenzoic acid
- 2,4,6-Trihydroxybenzenecarboxylic acid
- Phloroglucinolcarboxylic acid
- Phloroglucinic acid
- NSC 36720
- 4,6-Dihydroxysalicylic acid
Work with Phloroglucinol carboxylic acid
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
2,6-Dihydroxy-4-methylbenzoic acid480-67-164 % similar
2,6-Dihydroxybenzoic acid303-07-159 % similar
2,6-Difluoro-4-hydroxybenzoic acid214917-68-759 % similar
4-Hydroxy-2,6-dimethylbenzoic acid75056-97-259 % similar
Olivetolic acid491-72-557 % similar
2,4-Dihydroxybenzoic acid89-86-157 % similar
5-Hydroxyisophthalic acid618-83-756 % similar
3,5-Dihydroxybenzoic acid99-10-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.