chempirical

5-Hydroxyisophthalic acid

C8H6O5CAS 618-83-7182.13 g/mol

Open in Covalent MOL file
OHOOHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C8H6O5
Molar mass
182.13 g/mol
Exact mass
182.0215 Da
Melting point
293 °C
logP
0.79Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
618-83-7
SMILES
O=C(O)c1cc(O)cc(C(=O)O)c1
InChIKey
QNVNLUSHGRBCLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedicarboxylic acid, 5-hydroxy-
  • Isophthalic acid, 5-hydroxy-
  • 5-Hydroxy-1,3-benzenedicarboxylic acid
  • 3,5-Dicarboxyphenol
  • NSC 302088

Work with 5-Hydroxyisophthalic 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

3,5-Dihydroxybenzoic acid99-10-590 % similar Trimesic acid554-95-075 % similar 3-Amino-5-hydroxybenzoic acid76045-71-170 % similar 3-Hydroxybenzoic acid99-06-963 % similar 5-Hydroxynicotinic acid27828-71-361 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-960 % similar 4-Hydroxybenzoic acid99-96-760 % similar Uvitic acid499-49-058 % similar

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

Same formula

Monoperoxyphthalic acid2311-91-3 2-Hydroxy-1,3-benzenedicarboxylic acid606-19-9 4-Hydroxyphthalic acid610-35-5 4-Hydroxyisophthalic acid636-46-4

Elsewhere

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