4-Methyl-m-anisic acid

C₉H₁₀O₃CAS 7151-68-0166.18 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
Melting point: 158 °C
Boiling point: 168–170 °C (at 11 Torr)
logP: 1.70Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

7151-68-0

SMILES

COc1cc(C(=O)O)ccc1C

InChIKey

CEAVPXDEPGAVDA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

3-Methoxy-4-methylbenzoic acid
Benzoic acid, 3-methoxy-4-methyl-
m-Anisic acid, 4-methyl-
4-Methyl-3-methoxybenzoic acid
NSC 70224

Work with 4-Methyl-m-anisic 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-Methoxy-3-methylbenzoic acid6880-04-276 % similar Veratric acid93-07-273 % similar Vanillic acid121-34-667 % similar 4-Amino-3-methoxybenzoic acid2486-69-367 % similar 4-Bromo-3-methoxybenzoic acid56256-14-565 % similar 3-Iodo-4-methoxybenzoic acid68507-19-765 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-265 % similar 4-Chloro-3-methoxybenzoic acid85740-98-365 % 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

PubChem CAS Common Chemistry NIST WebBook