| CAS Number | 7507-34-8 |
| Catalog Number | AG019LBF(AGN-PC-0JMJ18) |
| Chemical Name | 3-(3,5-Dimethylphenoxy)propanoic acid |
| IUPAC Name | 3-(3,5-dimethylphenoxy)propanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12)13/h5-7H,3-4H2,1-2H3,(H,12,13) |
| InChI Key | DKXUNJWAAUBSMR-UHFFFAOYSA-N |
| MDL Number | MFCD09046355 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| NSC Number | 407966 |
| SMILES | CC1=CC(OCCC(O)=O)=CC(C)=C1 |
| Synonyms | 3-(3,5-dimethylphenoxy)propanoic acid,
7507-34-8,
3-(3,5-Dimethyl-phenoxy)-propionic acid,
NSC407966,
AC1L89VI,
AC1Q2JC3,
SCHEMBL3731595,
CTK7J4464,
DTXSID00324910,
DKXUNJWAAUBSMR-UHFFFAOYSA-N,
ZINC1600215,
AKOS000130473,
MCULE-6425676044,
NE14182,
NSC-407966,
EN300-30701,
CID348583,
|
| Complexity | 181 |
| 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