| CAS Number | 178974-96-4 |
| Catalog Number | AG01BUN6 |
| Chemical Name | 2-[(3-Methylphenyl)methoxy]acetic acid |
| IUPAC Name | 2-[(3-methylphenyl)methoxy]acetic acid |
| InChI | InChI=1S/C10H12O3/c1-8-3-2-4-9(5-8)6-13-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChI Key | MEYRTOVRTMKZKZ-UHFFFAOYSA-N |
| MDL Number | MFCD19369846 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | CC1=CC(COCC(O)=O)=CC=C1 |
| Synonyms | 2-[(3-methylphenyl)methoxy]acetic acid,
178974-96-4,
3-Methylbenzyloxyacetic acid,
SCHEMBL9911069,
ZINC57936282,
AKOS022393221,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number