chempirical

2-Methoxybenzoic acid

C8H8O3CAS 529-75-9152.15 g/mol

Open in Covalent MOL file
OOOH
Carboxylic acidEther

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
logP
1.39Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
529-75-9
SMILES
COC1=CC=CC=C1C(=O)O
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)

Weigh it out

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

Work with 2-Methoxybenzoic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

o-Anisic acid579-75-9

Similar compounds

2,3-Dimethoxybenzoic acid1521-38-672 % similar 3-Methoxy-2-methylbenzoic acid55289-06-070 % similar 3-Methoxysalicylic acid877-22-570 % similar 2-Fluoro-3-methoxybenzoic acid137654-20-768 % similar 2-Amino-3-methoxybenzoic acid3177-80-868 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-865 % similar 2,6-Dimethoxybenzoic acid1466-76-865 % similar 2-Methoxybenzamide2439-77-263 % similar

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

Same formula

p-Anisic acid100-09-4 Acetylresorcinol102-29-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3′,4′-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8

Elsewhere

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