| CAS Number | 25173-39-1 |
| Catalog Number | AG019LAQ(AGN-PC-00MWRP) |
| Chemical Name | 3-(3,4-Dimethylphenoxy)propanoic acid |
| IUPAC Name | 3-(3,4-dimethylphenoxy)propanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8-3-4-10(7-9(8)2)14-6-5-11(12)13/h3-4,7H,5-6H2,1-2H3,(H,12,13) |
| InChI Key | YDFLEOPCOYQELR-UHFFFAOYSA-N |
| MDL Number | MFCD09044400 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | O=C(O)CCOC1=CC=C(C)C(C)=C1 |
| Synonyms | 3-(3,4-dimethylphenoxy)propanoic acid,
25173-39-1,
AC1Q2DZH,
SCHEMBL3723832,
CTK7J4473,
YDFLEOPCOYQELR-UHFFFAOYSA-N,
ZINC11864237,
AKOS000128700,
MCULE-9574936062,
NE20973,
3-(3,4-Dimethyl-phenoxy)-propionic acid,
EN300-30628,
Z317046440,
|
| Complexity | 191 |
| 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 | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number