| CAS Number | 96881-90-2 |
| Catalog Number | AG01DKVQ(AGN-PC-0KKIH8) |
| Chemical Name | 2-METHOXY-4,6-DIMETHYLBENZOIC ACID |
| IUPAC Name | 2-methoxy-4,6-dimethylbenzoic acid |
| InChI | InChI=1S/C10H12O3/c1-6-4-7(2)9(10(11)12)8(5-6)13-3/h4-5H,1-3H3,(H,11,12) |
| InChI Key | PAPFFSFFZKEPTP-UHFFFAOYSA-N |
| MDL Number | MFCD01194293 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | COC1=CC(C)=CC(C)=C1C(O)=O |
| Synonyms | 2-methoxy-4,6-dimethylbenzoic acid,
96881-90-2,
2-methoxy-4,6-dimethyl-benzoic Acid,
ZINC3847161,
2,4-Dimethyl-6-methoxybenzoic acid,
AKOS004907120,
AS06303,
CM10206,
AS-43930,
AC1MBKAM,
Benzoic acid, 2-methoxy-4,6-dimethyl,
CID2752042,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.078644g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.2g/mol |
| Monoisotopic Mass | 180.078644g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number