| CAS Number | 20872-08-6 |
| Catalog Number | AG01E749 |
| Chemical Name | 2,6-Dimethoxy-4-methylbenzoic acid |
| IUPAC Name | 2,6-dimethoxy-4-methylbenzoic acid |
| InChI | InChI=1S/C10H12O4/c1-6-4-7(13-2)9(10(11)12)8(5-6)14-3/h4-5H,1-3H3,(H,11,12) |
| InChI Key | FXRKFUSFSMFKID-UHFFFAOYSA-N |
| MDL Number | MFCD01321088 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | COC1=C(C(O)=O)C(OC)=CC(C)=C1 |
| Synonyms | 2,6-dimethoxy-4-methylbenzoic acid,
20872-08-6,
SCHEMBL6745474,
FXRKFUSFSMFKID-UHFFFAOYSA-N,
AKOS006280107,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number