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1798-09-0 | Benzeneacetic acid, 3-methoxy-
CAS No: 1798-09-0 Catalog No: AG00279F MDL No:MFCD00004334
Product Description
Catalog Number:
AG00279F
Chemical Name:
Benzeneacetic acid, 3-methoxy-
CAS Number:
1798-09-0
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00004334
IUPAC Name:
2-(3-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
LEGPZHPSIPPYIO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)CC(=O)O
EC Number:
217-282-8
UNII:
25XLO0T6MY
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| A new facile synthetic route to [11C]GSK189254, a selective PET radioligand for imaging of CNS histamine H3 receptor. | Bioorganic & medicinal chemistry letters 20120715 |
| Evaluation of (R)-(-)-α-methoxy phenyl acetic acid as a chiral shift reagent for resolution and determination of R and S enantiomers of modafinil in bulk drugs and formulations by 1H NMR spectroscopy. | Chirality 20120401 |
| Anticancer activity of dinuclear gallium(III) carboxylate complexes. | European journal of medicinal chemistry 20100201 |
| Study of the cytotoxic activity of di and triphenyltin(IV) carboxylate complexes. | Journal of inorganic biochemistry 20081201 |
| Lipophilic (hydroxy)phenylacetates by solvent-free lipase-catalyzed esterification and transesterification in vacuo. | Journal of agricultural and food chemistry 20080709 |
| Pilocarpine-induced status epilepticus: monoamine level, muscarinic and dopaminergic receptors alterations in striatum of young rats. | Neuroscience letters 20050701 |
| Role of the peri-effect in synthesis and reactivity of highly substituted naphthaldehydes: a novel backbone amide linker for solid-phase synthesis. | Organic & biomolecular chemistry 20050207 |
| Contribution of aldehyde oxidase, xanthine oxidase, and aldehyde dehydrogenase on the oxidation of aromatic aldehydes. | Chemical research in toxicology 20041001 |
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