| CAS Number | 1035271-23-8 |
| Catalog Number | AG01BCS3 |
| Chemical Name | 3-[3-(2-Methoxyethoxy)phenyl]propanoic acid |
| IUPAC Name | 3-[3-(2-methoxyethoxy)phenyl]propanoic acid |
| InChI | InChI=1S/C12H16O4/c1-15-7-8-16-11-4-2-3-10(9-11)5-6-12(13)14/h2-4,9H,5-8H2,1H3,(H,13,14) |
| InChI Key | UNIISWOHWZGDNE-UHFFFAOYSA-N |
| MDL Number | MFCD28012294 |
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.2530 |
| SMILES | COCCOC1=CC(CCC(O)=O)=CC=C1 |
| Synonyms | 3-[3-(2-methoxyethoxy)phenyl]propanoic acid,
1035271-23-8,
SCHEMBL3668051,
ZINC96300561,
AKOS033602095,
MCULE-2229458577,
A1-08441,
Z1824497803,
|
| 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 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number