| CAS Number | 756485-02-6 |
| Catalog Number | AG01A7VD(AGN-PC-02MVBZ) |
| Chemical Name | 4-(3-Acetylphenoxy)butanoic acid |
| IUPAC Name | 4-(3-acetylphenoxy)butanoic acid |
| InChI | InChI=1S/C12H14O4/c1-9(13)10-4-2-5-11(8-10)16-7-3-6-12(14)15/h2,4-5,8H,3,6-7H2,1H3,(H,14,15) |
| InChI Key | XGZBCEWPYFSMNG-UHFFFAOYSA-N |
| MDL Number | MFCD09817028 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | CC(C1=CC(OCCCC(O)=O)=CC=C1)=O |
| Synonyms | 4-(3-acetylphenoxy)butanoic acid,
756485-02-6,
Butanoic acid, 4-(3-acetylphenoxy)-,
AC1Q1JNF,
SCHEMBL2557735,
CTK7J3922,
ZINC19391518,
AKOS000159501,
MCULE-3608573776,
NE25245,
EN300-59915,
Z1259041075,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number