Benzoic acid, 3-methoxy-2-methyl-


Chemical Name: Benzoic acid, 3-methoxy-2-methyl-
CAS Number: 55289-06-0
Product Number: AG0033QR(AGN-PC-0CTSJL)
Synonyms:
MDL No: MFCD02094039
Molecular Formula: C9H10O3
Molecular Weight: 166.1739

Identification/Properties


Properties
MP:
146.5 - 149 °C
BP:
297°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
166.176g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
166.063g/mol
Monoisotopic Mass:
166.063g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
167
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Methoxy-2-methylbenzoic acid, also known as o-Anisic acid, is a versatile compound that finds widespread use in chemical synthesis. One key application of this compound is as a building block in the synthesis of various pharmaceuticals. Its structural characteristics make it an important intermediate in the production of non-steroidal anti-inflammatory drugs (NSAIDs), such as ibuprofen and naproxen. Additionally, o-Anisic acid is utilized in the preparation of fragrances, flavors, and agrochemicals, showcasing its significance in the field of fine chemicals synthesis. Lastly, its presence as a key starting material in the organic synthesis of diverse compounds highlights its indispensable role in the field of chemistry. This compound's unique properties make it a valuable tool for chemists and researchers seeking to develop novel compounds for various industrial applications.