| CAS Number | 96818-18-7 |
| Catalog Number | AG01A2AM(AGN-PC-00MKOI) |
| Chemical Name | 4-(2,4-Dimethoxyphenyl)butanoic acid |
| IUPAC Name | 4-(2,4-dimethoxyphenyl)butanoic acid |
| InChI | InChI=1S/C12H16O4/c1-15-10-7-6-9(11(8-10)16-2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChI Key | ULRYTCBBYQNVQO-UHFFFAOYSA-N |
| MDL Number | MFCD00796496 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.253 |
| SMILES | COC1=CC(OC)=C(CCCC(O)=O)C=C1 |
| Synonyms | 4-(2,4-dimethoxyphenyl)butanoic acid,
96818-18-7,
ZINC20217148,
AKOS009209027,
MCULE-4642762553,
NE23804,
4-(2,4-dimethoxy-phenyl)-butyric acid,
Z1511513800,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number