| CAS Number | 33537-78-9 |
| Catalog Number | AG01A3MR(AGN-PC-003JCT) |
| Chemical Name | 4-Methoxy-3-(1-methylethyl)benzoic acid |
| IUPAC Name | 4-methoxy-3-propan-2-ylbenzoic acid |
| InChI | InChI=1S/C11H14O3/c1-7(2)9-6-8(11(12)13)4-5-10(9)14-3/h4-7H,1-3H3,(H,12,13) |
| InChI Key | PQDZTSSEWJIYOO-UHFFFAOYSA-N |
| MDL Number | MFCD16303871 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | C=1(C=C(C(=O)O)C=CC1OC)C(C)C |
| Synonyms | 4-Methoxy-3-isopropylbenzoic acid,
33537-78-9,
4-methoxy-3-(propan-2-yl)benzoic acid,
SCHEMBL4695867,
3-isopropyl-4-methoxybenzoic acid,
PQDZTSSEWJIYOO-UHFFFAOYSA-N,
MFCD16303871,
ZINC34446975,
AKOS013201795,
MCULE-8340180431,
NE53185,
Z1814381748,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number