| CAS Number | 926257-24-1 |
| Catalog Number | AG019WW0 |
| Chemical Name | 3-[4-(Propan-2-yl)phenoxy]propanoic acid |
| IUPAC Name | 3-(4-propan-2-ylphenoxy)propanoic acid |
| InChI | InChI=1S/C12H16O3/c1-9(2)10-3-5-11(6-4-10)15-8-7-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChI Key | LGUAUHTVKKNVOM-UHFFFAOYSA-N |
| MDL Number | MFCD09049892 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | CC(C1=CC=C(OCCC(O)=O)C=C1)C |
| Synonyms | 3-[4-(propan-2-yl)phenoxy]propanoic acid,
926257-24-1,
3-(4-Isopropylphenoxy)propanoic acid,
AC1Q1OT4,
CTK6A5250,
ZINC11884121,
AKOS000133838,
MCULE-9199880718,
NE32137,
EN300-53304,
Z815264180,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.257g/mol |
| Monoisotopic Mass | 208.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number