| CAS Number | 1159822-89-5 |
| Catalog Number | AG00HD63(AGN-PC-0WR4F9) |
| Chemical Name | 3-Amino-2-hydroxy-5-methyl acetylbenzene hcl |
| IUPAC Name | 1-(3-amino-2-hydroxy-5-methylphenyl)ethanone;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-5-3-7(6(2)11)9(12)8(10)4-5;/h3-4,12H,10H2,1-2H3;1H |
| InChI Key | ITVFTYYBYDADCV-UHFFFAOYSA-N |
| MDL Number | MFCD09996884 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | Cl.CC(=O)C1=CC(C)=CC(N)=C1O |
| Synonyms | 1159822-89-5,
3-AMINO-2-HYDROXY-5-METHYL ACETYLBENZENE HCL,
1-(3-Amino-2-hydroxy-5-methylphenyl)ethanone hydrochloride,
MFCD09996884,
AS-38365,
3-Amino-2-hydroxy-5-methylacetophenone hydrochloride,
1-(3-Amino-2-hydroxy-5-methyl-phenyl)-ethanone hydrochloride,
70977-71-8,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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