| CAS Number | 926206-54-4 |
| Catalog Number | AG01A7NO |
| Chemical Name | 2-[4-(3-Oxobutyl)phenoxy]propanoic acid |
| IUPAC Name | 2-[4-(3-oxobutyl)phenoxy]propanoic acid |
| InChI | InChI=1S/C13H16O4/c1-9(14)3-4-11-5-7-12(8-6-11)17-10(2)13(15)16/h5-8,10H,3-4H2,1-2H3,(H,15,16) |
| InChI Key | GYDOYXODECNPER-UHFFFAOYSA-N |
| MDL Number | MFCD09049900 |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.2637 |
| SMILES | CC(C(O)=O)OC1=CC=C(CCC(C)=O)C=C1 |
| Synonyms | 2-[4-(3-oxobutyl)phenoxy]propanoic acid,
926206-54-4,
AC1Q2C06,
SCHEMBL2557926,
CTK6A0181,
AKOS000133760,
AKOS016899386,
MCULE-7963366245,
NE14211,
EN300-59264,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.267g/mol |
| Monoisotopic Mass | 236.105g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number