4-Hydroxyphthalic anhydride

C8H4O4CAS 27550-59-0164.12 g/mol

Open in Covalent MOL file
HOOOO
Acid anhydridePhenol

Properties

Molecular formula
C8H4O4
Molar mass
164.12 g/mol
Exact mass
164.0110 Da
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 the 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
27550-59-0
SMILES
C1=CC2=C(C=C1O)C(=O)OC2=O
InChIKey
PXHIYFMTRHEUHZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4O4/c9-4-1-2-5-6(3-4)8(11)12-7(5)10/h1-3,9H

Weigh it out

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

Names and synonyms

1 names
  • 5-Hydroxy-1,3-dihydro-2-benzofuran-1,3-dione

Work with 4-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

Dimethyl 4-hydroxyphthalate22479-95-470 % similar 5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone2420-87-361 % similar 4-Bromophthalic anhydride86-90-860 % similar 4,4'-Oxydiphthalic anhydride1823-59-257 % similar 2,6-Dihydroxyanthraquinone84-60-655 % similar 4-Chlorophthalic anhydride118-45-655 % similar 4,4'-(1,4-Phenylenedioxy)bisphthalic Anhydride17828-53-455 % similar 4-Methylphthalic anhydride19438-61-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxyphthalic anhydride37418-88-5

Elsewhere

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