| CAS Number | 22383-94-4 |
| Catalog Number | AG019LMQ |
| Chemical Name | 3-(2,3-Dimethylphenoxy)propanoic acid |
| IUPAC Name | 3-(2,3-dimethylphenoxy)propanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8-4-3-5-10(9(8)2)14-7-6-11(12)13/h3-5H,6-7H2,1-2H3,(H,12,13) |
| InChI Key | SALJXEHFNSBCNF-UHFFFAOYSA-N |
| MDL Number | MFCD09050327 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC1=C(C)C(OCCC(O)=O)=CC=C1 |
| Synonyms | 3-(2,3-dimethylphenoxy)propanoic acid,
22383-94-4,
3-(2,3-dimethyl-phenoxy)-propionic acid,
AC1Q2DRS,
SCHEMBL3723813,
CTK6B3915,
ZINC11953600,
AKOS000134156,
MCULE-8347260729,
NE14215,
EN300-31797,
Z336481608,
|
| 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