| CAS Number | 92315-49-6 |
| Catalog Number | AG01C0LO |
| Chemical Name | 3-Methoxy-2,5-dimethylbenzoic acid |
| IUPAC Name | 3-methoxy-2,5-dimethylbenzoic acid |
| InChI | InChI=1S/C10H12O3/c1-6-4-8(10(11)12)7(2)9(5-6)13-3/h4-5H,1-3H3,(H,11,12) |
| InChI Key | SUSSFYUYIFADRR-UHFFFAOYSA-N |
| MDL Number | MFCD15527594 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | Cc1cc(c(c(c1)OC)C)C(=O)O |
| Synonyms | 3-METHOXY-2,5-DIMETHYLBENZOIC ACID,
92315-49-6,
AKOS027341673,
ZINC199770857,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number