chempirical

Hemimellitic acid

C9H6O6CAS 569-51-7210.14 g/mol

Open in Covalent MOL file
OHOOOHOOH
Carboxylic acid

Properties

Molecular formula
C9H6O6
Molar mass
210.14 g/mol
Exact mass
210.0164 Da
Melting point
200 °C
logP
0.78Crippen estimate
Polar surface area
111.9 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
569-51-7
SMILES
O=C(O)c1cccc(C(=O)O)c1C(=O)O
InChIKey
UJMDYLWCYJJYMO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O6/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)

Weigh it out

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

Names and synonyms

3 names
  • 1,2,3-Benzenetricarboxylic acid
  • 1,2,3-Tricarboxybenzene
  • NSC 401092

Work with Hemimellitic acid

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

Similar compounds

3-Fluorophthalic acid1583-67-170 % similar 3-Aminophthalic acid5434-20-870 % similar 3-Iodophthalic acid6937-34-470 % similar Phthalic acid88-99-368 % similar 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-964 % similar 3-Aminophthalic acid hydrochloride6946-22-163 % similar 9-Oxo-9H-fluorenecarboxylic acid1573-92-860 % similar Diphenic acid482-05-360 % similar

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

Same formula

Trimellitic acid528-44-9 Trimesic acid554-95-0 Tetrahydro-1H-cyclopenta[1,2-c:3,4-c′]difuran-1,3,4,6(3aH)-tetrone6053-68-5

Elsewhere

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