| CAS Number | 1184828-98-5 |
| Catalog Number | AG01ABO5 |
| Chemical Name | 2-(3,4-dimethoxyphenyl)-2-ethylbutanoic acid |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-2-ethylbutanoic acid |
| InChI | InChI=1S/C14H20O4/c1-5-14(6-2,13(15)16)10-7-8-11(17-3)12(9-10)18-4/h7-9H,5-6H2,1-4H3,(H,15,16) |
| InChI Key | JKDMUYZVSXBHQE-UHFFFAOYSA-N |
| MDL Number | MFCD12896694 |
| Molecular Formula | C14H20O4 |
| Molecular Weight | 252.3062 |
| SMILES | CCC(C1=CC(OC)=C(OC)C=C1)(C(O)=O)CC |
| Synonyms | 2-(3,4-dimethoxyphenyl)-2-ethylbutanoic acid,
1184828-98-5,
ZINC37934463,
AKOS005793481,
MCULE-9578947079,
NE39449,
Z1675018433,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.31g/mol |
| Monoisotopic Mass | 252.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number