| CAS Number | 152855-66-8 |
| Catalog Number | AG01A7LX(AGN-PC-05ISHM) |
| Chemical Name | 2-(3-acetylphenoxy)propanoic Acid |
| IUPAC Name | 2-(3-acetylphenoxy)propanoic acid |
| InChI | InChI=1S/C11H12O4/c1-7(12)9-4-3-5-10(6-9)15-8(2)11(13)14/h3-6,8H,1-2H3,(H,13,14) |
| InChI Key | ZKXNUJJKVJQNHB-UHFFFAOYSA-N |
| MDL Number | MFCD09044884 |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.2106 |
| SMILES | CC(C(O)=O)OC1=CC(C(C)=O)=CC=C1 |
| Synonyms | 2-(3-acetylphenoxy)propanoic Acid,
152855-66-8,
AC1Q2BZ4,
SCHEMBL15329830,
CTK6A3461,
2-(3-Acetylphenoxy)propionic acid,
AKOS000128948,
AKOS022381566,
MCULE-5897817709,
NE28944,
EN300-59117,
Z228583470,
CID10655957,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.213g/mol |
| Monoisotopic Mass | 208.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number