| CAS Number | 76980-62-6 |
| Catalog Number | AG01BDXL(AGN-PC-0UATQ2) |
| Chemical Name | Methyl 2-(3-aminophenyl)propanoate |
| IUPAC Name | methyl 2-(3-aminophenyl)propanoate |
| InChI | InChI=1S/C10H13NO2/c1-7(10(12)13-2)8-4-3-5-9(11)6-8/h3-7H,11H2,1-2H3 |
| InChI Key | QEQSJQDSJSIAPG-UHFFFAOYSA-N |
| MDL Number | MFCD20696034 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | COC(C(C1=CC(N)=CC=C1)C)=O |
| Synonyms | methyl 2-(3-aminophenyl)propanoate,
76980-62-6,
SCHEMBL3402993,
MFCD20696034,
NE55036,
Benzeneacetic acid, 3-amino-alpha-methyl-, methyl ester,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.219g/mol |
| Monoisotopic Mass | 179.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number