| CAS Number | 350699-65-9 |
| Catalog Number | AG00CK5F |
| Chemical Name | 3-(4-Aminophenoxy)propanoic acid |
| IUPAC Name | 3-(4-aminophenoxy)propanoic acid |
| InChI | InChI=1S/C9H11NO3/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6,10H2,(H,11,12) |
| InChI Key | BXZFRAKKWTXCSD-UHFFFAOYSA-N |
| MDL Number | MFCD01140134 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | NC1=CC=C(OCCC(O)=O)C=C1 |
| Synonyms | 3-(4-aminophenoxy)propanoic acid,
350699-65-9,
3-(4-aminophenoxy)propionic acid,
SCHEMBL2198008,
ZINC36155832,
MCULE-6932857541,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.191g/mol |
| Monoisotopic Mass | 181.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number