| CAS Number | 107070-69-9 |
| Catalog Number | AG009OF9(AGN-PC-00NYRZ) |
| Chemical Name | 4-(Dimethylamino)-2-hydroxyacetophenone |
| IUPAC Name | 1-[4-(dimethylamino)-2-hydroxyphenyl]ethanone |
| InChI | InChI=1S/C10H13NO2/c1-7(12)9-5-4-8(11(2)3)6-10(9)13/h4-6,13H,1-3H3 |
| InChI Key | PKUCBGNNGAEELT-UHFFFAOYSA-N |
| MDL Number | MFCD11870193 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.2157 |
| SMILES | CC(=O)C1=C(C=C(C=C1)N(C)C)O |
| Synonyms | 1-[4-(dimethylamino)-2-hydroxyphenyl]ethan-1-one,
107070-69-9,
SCHEMBL144363,
ZINC72294350,
AKOS017516020,
MCULE-3251381297,
NE19952,
4-(Dimethylamino)-2-hydroxyacetophenone,
2'-Hydroxy-4'-(dimethylamino)acetophenone,
Z1350606405,
2/'-Hydroxy-4/'-(dimethylamino)acetophenone,
1-(4-(dimethylamino)-2-hydroxyphenyl)ethanone,
|
| Complexity | 191 |
| 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 | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number