4-Methoxyphthalic acid

C₉H₈O₅CAS 1885-13-8196.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₉H₈O₅
Molar mass: 196.16 g/mol
Exact mass: 196.0372 Da
Melting point: 170 °C
logP: 1.09Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

1885-13-8

SMILES

COc1ccc(C(=O)O)c(C(=O)O)c1

InChIKey

JKZSIEDAEHZAHQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O5/c1-14-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

4 names

1,2-Benzenedicarboxylic acid, 4-methoxy-
Phthalic acid, 4-methoxy-
4-Methoxy-1,2-benzenedicarboxylic acid
4-Methoxy-o-phthalic acid

Work with 4-Methoxyphthalic 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

4-Methoxysalicylic acid2237-36-775 % similar 2,5-Dimethoxybenzoic acid2785-98-075 % similar 2,4-Dimethoxybenzoic acid91-52-175 % similar 5-Methoxysalicylic acid2612-02-473 % similar 2-Bromo-5-methoxybenzoic acid22921-68-271 % similar 2-Chloro-5-methoxybenzoic acid6280-89-371 % similar 4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-065 % similar 2-Carboxy-4-methoxybenzeneacetic acid52962-25-163 % similar

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

Same formula

4-Methoxy-1,3-benzenedicarboxylic acid2206-43-1 3′,4′-Methylenedioxymandelic acid27738-46-1 2-(Carboxymethoxy)benzoic acid635-53-0

Elsewhere

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