| CAS Number | 257632-89-6 |
| Catalog Number | AG01DTSX(AGN-PC-01YUXR) |
| Chemical Name | Methyl 2-(3,4-diaminophenyl)acetate |
| IUPAC Name | methyl 2-(3,4-diaminophenyl)acetate |
| InChI | InChI=1S/C9H12N2O2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5,10-11H2,1H3 |
| InChI Key | VHSKOTPCYHGEOK-UHFFFAOYSA-N |
| MDL Number | MFCD18252273 |
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.2038 |
| SMILES | COC(=O)CC1=CC(N)=C(N)C=C1 |
| Synonyms | methyl 2-(3,4-diaminophenyl)acetate,
257632-89-6,
SCHEMBL7237331,
methyl 3,4-diaminophenylacetate,
VHSKOTPCYHGEOK-UHFFFAOYSA-N,
ZINC59611405,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.207g/mol |
| Monoisotopic Mass | 180.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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