chempirical

8-Hydroxyquinoline citrate

C15H15NO8CAS 134-30-5337.28 g/mol

Open in Covalent MOL file
OHOHOOOHOHOOHN
AlcoholCarboxylic acidPhenol

Properties

Molecular formula
C15H15NO8
Molar mass
337.28 g/mol
Exact mass
337.0798 Da
logP
0.69Crippen estimate
Polar surface area
165.3 Ų
H-bond donors / acceptors
5 / 6
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
134-30-5
SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.Oc1cccc2cccnc12
InChIKey
GTOQWWQKBBZILU-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO.C6H8O7/c11-8-5-1-3-7-4-2-6-10-9(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-6,11H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

6 names
  • 8-Quinolinol, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • 8-Quinolinol, citrate (1:1) (salt)
  • 8-Quinolinol, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)
  • 8-Quinolinol, citrate
  • Citroxin
  • 8-HQC

Work with 8-Hydroxyquinoline citrate

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

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.

2-Hydroxy-1,2,3-propanetricarboxylic acid hydrate (1:1)5949-29-1Hydrate Citric acid77-92-9Free acid 8-Hydroxyquinoline148-24-3Free base Tris(8-hydroxyquinolinato)aluminium2085-33-8Salt Bis(8-quinolinolato)copper10380-28-6Salt Trisodium citrate68-04-2Salt Ammonium ferric citrate1185-57-5Salt Potassium citrate866-84-2Salt Calcium citrate813-94-5Salt Disodium citrate144-33-2Salt Monosodium citrate18996-35-5Salt Piperazine citrate144-29-6Salt

Similar compounds

8-Quinolinecarboxylic acid86-59-940 % similar 8-Hydroxyquinoline-2-carboxylic acid1571-30-838 % similar 8-Hydroxyquinoline-7-carboxylic acid19829-79-937 % similar 5-Carboxy-8-hydroxyquinoline5852-78-837 % similar 2-Chloro-3-pyridineacetic acid61494-55-137 % similar 3-Hydroxypicolinic acid874-24-836 % similar 3,3,3-Triphenylpropionic acid900-91-435 % similar (2-Hydroxyphenyl)acetic acid614-75-534 % similar

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

Elsewhere

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