| CAS Number | 73096-98-7 |
| Catalog Number | AG003AQ2(AGN-PC-005BJZ) |
| Chemical Name | 1-{3-[(dimethylamino)methyl]-4-hydroxyphenyl}ethan-1-one |
| EC Number | 430-920-1 |
| IUPAC Name | 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone |
| InChI | InChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3 |
| InChI Key | WAENDPRPZPEBQR-UHFFFAOYSA-N |
| MDL Number | MFCD12147923 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | CN(C)CC=1C=C(C=CC1O)C(C)=O |
| Synonyms | AKOS009158416,
1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone,
73096-98-7,
CID11252531,
1-[3-(dimethylaminomethyl)-4-hydroxy-phenyl]ethanone,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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