Methoxyphenylacetic acid

C9H10O3CAS 7021-09-2166.18 g/mol

Open in Covalent MOL file
OOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
70–71 °C
logP
1.46Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
7021-09-2
SMILES
COC(C(=O)O)c1ccccc1
InChIKey
DIWVBIXQCNRCFE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

14 names · show all
  • (RS)-2-Methoxy-2-phenylacetic acid
  • Benzeneacetic acid, α-methoxy-
  • Acetic acid, methoxyphenyl-, (±)-
  • Benzeneacetic acid, α-methoxy-, (±)-
  • α-Methoxybenzeneacetic acid
  • DL-Methoxyphenylacetic acid
  • (±)-α-Methoxyphenylacetic acid
  • DL-α-Methoxyphenylacetic acid
  • MOPA
  • α-Methoxyphenylacetic acid
  • 2-Methoxy-2-phenylacetic acid
  • (±)-2-Methoxy-2-phenylacetic acid
  • (RS)-α-Methoxyphenylacetic acid
  • NSC 5665

Work with Methoxyphenylacetic 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.

(R)-(-)-Alpha-methoxyphenylacetic acid3966-32-3Defined stereoisomer (+)-Methoxyphenylacetic acid26164-26-1Defined stereoisomer

Similar compounds

(-)-O-Acetylmandelic acid51019-43-363 % similar O-Acetylmandelic acid5438-68-663 % similar (+)-O-Acetyl-L-mandelic Acid7322-88-563 % similar Methyl benzoin3524-62-759 % similar Diphenylacetic acid117-34-055 % similar Phenylmalonic acid2613-89-055 % similar 2-Phenylpropionic acid492-37-555 % similar (+)-2-Phenylpropionic acid7782-24-355 % 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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