| CAS Number | 721416-38-2 |
| Catalog Number | AG00FARD |
| Chemical Name | 4-(2-Ethoxyphenoxy)butanoic acid |
| IUPAC Name | 4-(2-ethoxyphenoxy)butanoic acid |
| InChI | InChI=1S/C12H16O4/c1-2-15-10-6-3-4-7-11(10)16-9-5-8-12(13)14/h3-4,6-7H,2,5,8-9H2,1H3,(H,13,14) |
| InChI Key | IRVVRBZLDZLBTI-UHFFFAOYSA-N |
| MDL Number | MFCD03950714 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | O=C(O)CCCOC1=CC=CC=C1OCC |
| Synonyms | 4-(2-ethoxyphenoxy)butanoic acid,
4-(2-Ethoxy-phenoxy)-butyric acid,
721416-38-2,
Enamine_004329,
AC1M6DQ1,
CTK6G3329,
HMS1406E17,
AC1Q3816,
ZINC3280818,
AKOS000200676,
MCULE-2431648813,
NE34557,
EN300-04236,
4-(2-ethoxy-phenoxy)-butyric acid, AldrichCPR,
SR-01000036815,
J-513298,
SR-01000036815-1,
CID2396271,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.256g/mol |
| Monoisotopic Mass | 224.105g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number