(4-Methoxyphenyl)acetic acid
Properties
- Molecular formula
- C9H10O3
- Molar mass
- 166.18 g/mol
- Exact mass
- 166.0630 Da
- Melting point
- 87 °C
- Boiling point
- 138 °C
- logP
- 1.32Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed> 99.9% of notifiers
Aggregated from 1,334 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
104-01-8SMILES
COc1ccc(CC(=O)O)cc1InChIKey
NRPFNQUDKRYCNX-UHFFFAOYSA-NInChI
InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Benzeneacetic acid, 4-methoxy-
- Acetic acid, (p-methoxyphenyl)-
- 4-Methoxybenzeneacetic acid
- Homoanisic acid
- (p-Methoxyphenyl)acetic acid
- 2-(p-Anisyl)acetic acid
- p-Anisylacetic acid
- 2-(p-Methoxyphenyl)acetic acid
- NSC 27799
- NSC 65597
- 2-(4-Methoxyphenyl)acetic acid
- 4-Methoxyphenacetic acid
- 4-Methoxyphenylacetic acid
Reactions
Work with (4-Methoxyphenyl)acetic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3-(4-Methoxyphenyl)propionic acid1929-29-972 % similar
6-Methoxy-2-naphthylacetic acid23981-47-771 % similar
4-Methoxyphenoxyacetic acid1877-75-469 % similar
(3,5-Dimethoxyphenyl)acetic acid4670-10-469 % similar
4-Methoxybenzenebutanoic acid4521-28-268 % similar
1,4-Benzenediacetic acid7325-46-467 % similar
(3-Methoxyphenyl)acetic acid1798-09-066 % similar
4-Ethoxybenzeneacetic acid4919-33-965 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.