(+)-Methoxyphenylacetic acid

C9H10O3CAS 26164-26-1166.18 g/mol

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OOHO
Carboxylic acidEther

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
Melting point
65–66 °C
logP
1.46Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
26164-26-1
SMILES
CO[C@H](C(=O)O)c1ccccc1
InChIKey
DIWVBIXQCNRCFE-QMMMGPOBSA-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)/t8-/m0/s1

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Names and synonyms

23 names · show all
  • (S)-α-Methoxybenzeneethanoic acid
  • (S)-(+)-Methoxyphenylacetic acid
  • Benzeneacetic acid, α-methoxy-, (αS)-
  • Acetic acid, methoxyphenyl-, (S)-
  • Benzeneacetic acid, α-methoxy-, (S)-
  • (αS)-α-Methoxybenzeneacetic acid
  • (S)-O-Methylmandelic acid
  • (S)-Methoxyphenylacetic acid
  • (S)-α-Methoxyphenylacetic acid
  • (S)-2-Methoxy-2-phenylacetic acid
  • (2S)-O-Methylmandelic acid
  • (S)-(+)-O-Methylmandelic acid
  • L-α-Methoxyphenylacetic acid
  • (+)-2-Methoxyphenylacetic acid
  • (S)-α-Methoxy-α-phenylacetic acid
  • (+)-α-Methoxyphenylacetic acid
  • (S)-(+)-α-Methoxyphenylacetic acid
  • (S)-(+)-2-Methoxy-2-phenylacetic acid
  • (S)-α-Methoxybenzeneacetic acid
  • (+)-2-Methoxy-2-phenylacetic acid
  • (S)-2-Methoxy-2-(phenyl)ethanoic acid
  • (S)-2-Methoxyphenylacetic acid
  • (2S)-Methoxy(phenyl)ethanoic acid

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 acid3966-32-3Enantiomer Methoxyphenylacetic acid7021-09-2Stereo not defined

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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