| CAS Number | 852180-02-0 |
| Catalog Number | AG01DWPT(AGN-PC-03D7VI) |
| Chemical Name | 1-(Pyrimidin-5-yl)propan-1-one |
| IUPAC Name | 1-pyrimidin-5-ylpropan-1-one |
| InChI | InChI=1S/C7H8N2O/c1-2-7(10)6-3-8-5-9-4-6/h3-5H,2H2,1H3 |
| InChI Key | CKEDKCUEBHHQII-UHFFFAOYSA-N |
| MDL Number | MFCD13177966 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | CCC(C1=CN=CN=C1)=O |
| Synonyms | 1-(Pyrimidin-5-yl)propan-1-one,
852180-02-0,
1-Propanone, 1-(5-pyrimidinyl)-,
SCHEMBL6249575,
1-propanone,1-(5-pyrimidinyl)-,
ZINC52886697,
AKOS011779965,
|
| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.154g/mol |
| Monoisotopic Mass | 136.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number