| CAS Number | 176645-85-5 |
| Catalog Number | AG01A6SI |
| Chemical Name | 3-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one |
| IUPAC Name | 3-imidazol-1-yl-1-(4-methoxyphenyl)propan-1-one |
| InChI | InChI=1S/C13H14N2O2/c1-17-12-4-2-11(3-5-12)13(16)6-8-15-9-7-14-10-15/h2-5,7,9-10H,6,8H2,1H3 |
| InChI Key | OXLAPCYQIDDYBW-UHFFFAOYSA-N |
| MDL Number | MFCD25970418 |
| Molecular Formula | C13H14N2O2 |
| Molecular Weight | 230.2625 |
| SMILES | COC1=CC=C(C(CCN2C=NC=C2)=O)C=C1 |
| Synonyms | 3-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)propan-1-one,
176645-85-5,
SCHEMBL6948539,
ZINC95348301,
AKOS033529319,
MCULE-2278266249,
NE38254,
Z1675018435,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.267g/mol |
| Monoisotopic Mass | 230.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number