| CAS Number | 855833-69-1 |
| Catalog Number | AG00G97K |
| Chemical Name | 4-(2-Phenylethoxy)butanoic acid |
| IUPAC Name | 4-(2-phenylethoxy)butanoic acid |
| InChI | InChI=1S/C12H16O3/c13-12(14)7-4-9-15-10-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,13,14) |
| InChI Key | SAUMQHDPIAICCP-UHFFFAOYSA-N |
| MDL Number | MFCD11196127 |
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.2536 |
| SMILES | OC(CCCOCCC1=CC=CC=C1)=O |
| Synonyms | 4-(2-phenylethoxy)butanoic acid,
4-phenethoxybutanoic acid,
855833-69-1,
AC1Q75JH,
SCHEMBL709052,
CTK7J3938,
SAUMQHDPIAICCP-UHFFFAOYSA-N,
ZINC20506716,
Butanoic acid, 4-(2-phenylethoxy)-,
AKOS033189192,
MCULE-5130655232,
NE15104,
DA-41151,
FT-0742349,
EN300-45489,
Z1245735270,
|
| Complexity | 174 |
| 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 | 7 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number