4-Methoxy-3-methylbenzoic acid

C₉H₁₀O₃CAS 6880-04-2166.18 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₉H₁₀O₃
Molar mass: 166.18 g/mol
Exact mass: 166.0630 Da
logP: 1.70Crippen estimate
Polar surface area: 46.5 Å²
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

6880-04-2

SMILES

CC1=C(C=CC(=C1)C(=O)O)OC

InChIKey

DNMUMZLKDOZMEY-UHFFFAOYSA-N

InChI

InChI=1S/C9H10O3/c1-6-5-7(9(10)11)3-4-8(6)12-2/h3-5H,1-2H3,(H,10,11)

Weigh it out

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Work with 4-Methoxy-3-methylbenzoic 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

3-Methoxy-4-methylbenzoic acid7151-68-076 % similar Veratric acid93-07-273 % similar 3-Iodo-4-methoxybenzoic acid68507-19-769 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-169 % similar 3-Amino-4-methoxybenzoic acid2840-26-867 % similar Isovanillic acid645-08-967 % similar 3-Chloro-4-methoxybenzoic acid37908-96-665 % similar 3-Fluoro-4-methoxybenzoic acid403-20-365 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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