chempirical

5-Hydroxyphthalide

C8H6O3CAS 55104-35-3150.13 g/mol

Open in Covalent MOL file
HOOO
EsterLactonePhenol

Properties

Molecular formula
C8H6O3
Molar mass
150.13 g/mol
Exact mass
150.0317 Da
logP
1.06Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
55104-35-3
SMILES
C1C2=C(C=CC(=C2)O)C(=O)O1
InChIKey
QJEJYBQYGQJKSK-UHFFFAOYSA-N
InChI
InChI=1S/C8H6O3/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,9H,4H2

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-one

Work with 5-Hydroxyphthalide

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

5-Bromophthalide64169-34-265 % similar 5-Aminophthalide65399-05-560 % similar 1,3-Dihydro-1-oxoisobenzofuran-5-carboxylic acid4792-29-459 % similar 1,3-Dihydro-1-oxoisobenzofuran-5-carbonitrile82104-74-359 % similar Methyl 1-oxo-1,3-dihydro-2-benzofuran-5-carboxylate23405-32-555 % similar Phthalide87-41-255 % similar 5-Phenoxy-1(3H)-isobenzofuranone57830-14-554 % similar 4-Hydroxyphthalic anhydride27550-59-053 % similar

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

Same formula

2-Carboxybenzaldehyde119-67-5 Piperonal120-57-0 Homogentisic acid lactone2688-48-4 4-Hydroxyisophthalaldehyde3328-70-9 Phenylglyoxylic acid611-73-4 3-Formylbenzoic acid619-21-6 4-Carboxybenzaldehyde619-66-9 6-Hydroxy-2H-benzofuran-3-one6272-26-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook