| CAS Number | 1603174-94-2 |
| Catalog Number | AG01C0HT |
| Chemical Name | 2-[(3-methylphenyl)methoxy]propanoic acid |
| IUPAC Name | 2-[(3-methylphenyl)methoxy]propanoic acid |
| InChI | InChI=1S/C11H14O3/c1-8-4-3-5-10(6-8)7-14-9(2)11(12)13/h3-6,9H,7H2,1-2H3,(H,12,13) |
| InChI Key | MDAISAARVZQEHI-UHFFFAOYSA-N |
| MDL Number | MFCD30498011 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | CC(C(O)=O)OCC1=CC(C)=CC=C1 |
| Synonyms | 2-[(3-methylphenyl)methoxy]propanoic acid,
1603174-94-2,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number