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93-25-4 | 2-Methoxyphenylacetic acid
CAS No: 93-25-4 Catalog No: AG003HKG MDL No:MFCD00004321
Product Description
Catalog Number:
AG003HKG
Chemical Name:
2-Methoxyphenylacetic acid
CAS Number:
93-25-4
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD00004321
IUPAC Name:
2-(2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
IVEWTCACRDEAOB-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)O
EC Number:
202-231-4
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 |
|---|---|
| Coenzyme Q0 induces apoptosis and modulates the cell cycle in estrogen receptor negative breast cancer cells. | Anti-cancer drugs 20090101 |
| Lipophilic (hydroxy)phenylacetates by solvent-free lipase-catalyzed esterification and transesterification in vacuo. | Journal of agricultural and food chemistry 20080709 |
| Isolation of new phenylacetylingol derivatives that reactivate HIV-1 latency and a novel spirotriterpenoid from Euphorbia officinarum latex. | Bioorganic & medicinal chemistry 20070701 |
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