3-Hydroxyphthalic anhydride

C8H4O4CAS 37418-88-5164.12 g/mol

Open in Covalent MOL file
OOOOH
Acid anhydridePhenol

Properties

Molecular formula
C8H4O4
Molar mass
164.12 g/mol
Exact mass
164.0110 Da
Melting point
150–190 °C
logP
0.70Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
37418-88-5
SMILES
O=C1OC(=O)c2c(O)cccc21
InChIKey
CCTOEAMRIIXGDJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4O4/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3,9H

Weigh it out

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

Names and synonyms

8 names
  • 1,3-Isobenzofurandione, 4-hydroxy-
  • 4-Hydroxy-1,3-isobenzofurandione
  • 4-Hydroxyisobenzofuran-1,3-dione
  • NSC 80858
  • 4-Hydroxy-2-benzofuran-1,3-dione
  • 4-Hydroxy-1,3-dihydro-2-benzofuran-1,3-dione
  • 3-Hydroxyphthalic acid anhydride
  • SM1-175

Work with 3-Hydroxyphthalic anhydride

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-Chlorophthalic anhydride117-21-559 % similar 3-Iodophthalic anhydride28418-88-458 % similar 3-Methylphthalic anhydride4792-30-758 % similar 3-Fluorophthalic anhydride652-39-158 % similar Anthrarufin117-12-455 % similar Methyl 2,6-dihydroxybenzoate2150-45-055 % similar Phthalic anhydride85-44-954 % similar 1,8-Dihydroxyanthraquinone117-10-253 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Hydroxyphthalic anhydride27550-59-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook