| CAS Number | 861315-62-0 |
| Catalog Number | AG00IDX8 |
| Chemical Name | 3-Amino-4-hydroxy-5-methyl-benzoic acid methyl ester |
| IUPAC Name | methyl 3-amino-4-hydroxy-5-methylbenzoate |
| InChI | InChI=1S/C9H11NO3/c1-5-3-6(9(12)13-2)4-7(10)8(5)11/h3-4,11H,10H2,1-2H3 |
| InChI Key | JXUSYVMEOHYQAL-UHFFFAOYSA-N |
| MDL Number | MFCD20700265 |
| Molecular Formula | C9H11NO3 |
| Molecular Weight | 181.1885 |
| SMILES | COC(C1=CC(N)=C(O)C(C)=C1)=O |
| Synonyms | 861315-62-0,
Benzoic acid, 3-amino-4-hydroxy-5-methyl-, methyl ester,
SCHEMBL750862,
3-amino-4-hydroxy-5-methyl-benzoic acid methyl ester,
AKOS024059989,
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| Complexity | 195 |
| 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 | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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