| CAS Number | 203438-46-4 |
| Catalog Number | AG019PJV(AGN-PC-0MN3BQ) |
| Chemical Name | 1-[4-(4-Hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one |
| IUPAC Name | 1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone |
| InChI | InChI=1S/C13H15NO2/c1-10(15)14-8-6-12(7-9-14)11-2-4-13(16)5-3-11/h2-6,16H,7-9H2,1H3 |
| InChI Key | BRVDNGAEPQQJOY-UHFFFAOYSA-N |
| MDL Number | MFCD07850227 |
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.2637 |
| SMILES | CC(N1CC=C(C2=CC=C(O)C=C2)CC1)=O |
| Synonyms | 1-[4-(4-hydroxyphenyl)-1,2,3,6-tetrahydropyridin-1-yl]ethan-1-one,
203438-46-4,
4-(1-acetyl-1,2,3,6-tetrahydropyridin-4-yl)phenol,
AC1PKRPO,
AC1Q1KBX,
CTK7J9168,
HMS1759I05,
ZINC7986272,
AKOS000119046,
NE29398,
EN300-23980,
1-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone,
ZINC07986272,
CID9115248,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.268g/mol |
| Monoisotopic Mass | 217.11g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number