Dimethyl 4-hydroxyphthalate

C₁₀H₁₀O₅CAS 22479-95-4210.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₅
Molar mass: 210.18 g/mol
Exact mass: 210.0528 Da
Melting point: 100–110 °C
logP: 0.97Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

22479-95-4

SMILES

COC(=O)c1ccc(O)cc1C(=O)OC

InChIKey

JJXVDRYFBGDXOU-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3

Weigh it out

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

Names and synonyms

6 names

1,2-Benzenedicarboxylic acid, 4-hydroxy-, 1,2-dimethyl ester
Phthalic acid, 4-hydroxy-, dimethyl ester
1,2-Benzenedicarboxylic acid, 4-hydroxy-, dimethyl ester
4-Hydroxy-o-phthalic acid dimethyl ester
Dimethyl 4-hydroxy-1,2-benzenedicarboxylate
1,2-Dimethyl 4-hydroxybenzene-1,2-dicarboxylate

Work with Dimethyl 4-hydroxyphthalate

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

Methyl 2,5-dihydroxybenzoate2150-46-175 % similar Methyl 2,4-dihydroxybenzoate2150-47-275 % similar Methyl 4-hydroxy-2-methylbenzoate57556-31-773 % similar Methyl 5-hydroxyanthranilate1882-72-071 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-571 % similar 4-Hydroxyphthalic anhydride27550-59-070 % similar Trimethyl trimellitate2459-10-163 % similar Tetramethyl pyromellitate635-10-961 % similar

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

Same formula

Dimethyl 5-hydroxyisophthalate13036-02-7 2,4-Diacetylphloroglucinol2161-86-6 6-Formyl-2,3-dimethoxybenzoic acid519-05-1 2-Carboxymethyl-5-methoxy-benzoic acid52962-25-1 4-Hydroxyisophthalic acid dimethyl ester5985-24-0

Elsewhere

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