| CAS Number | 130198-72-0 |
| Catalog Number | AG01A80H |
| Chemical Name | Methyl 3-(4-aminophenoxy)propanoate |
| IUPAC Name | methyl 3-(4-aminophenoxy)propanoate |
| InChI | InChI=1S/C10H13NO3/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3 |
| InChI Key | BUXRTYMRNUWARN-UHFFFAOYSA-N |
| MDL Number | MFCD12779273 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | COC(CCOC1=CC=C(N)C=C1)=O |
| Synonyms | methyl 3-(4-aminophenoxy)propanoate,
130198-72-0,
SCHEMBL435675,
Propanoic acid, 3-(4-aminophenoxy)-, methyl ester,
AC1Q444L,
CTK6J2515,
BUXRTYMRNUWARN-UHFFFAOYSA-N,
ZINC38055854,
AKOS010255396,
MCULE-7022162324,
NE15548,
EN300-60360,
3-(4-amino-phenoxy)-propionic acid methyl ester,
Z969560552,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number