| CAS Number | 87379-42-8 |
| Catalog Number | AG01AG25(AGN-PC-00L58A) |
| Chemical Name | Ethanone, 1-(4-methyl-5-pyrimidinyl)- |
| IUPAC Name | 1-(4-methylpyrimidin-5-yl)ethanone |
| InChI | InChI=1S/C7H8N2O/c1-5-7(6(2)10)3-8-4-9-5/h3-4H,1-2H3 |
| InChI Key | ULLKFRGCRYFTHF-UHFFFAOYSA-N |
| MDL Number | MFCD09263922 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | CC1=NC=NC=C1C(C)=O |
| Synonyms | 1-(4-Methylpyrimidin-5-yl)ethanone,
87379-42-8,
1-(4-methylpyrimidin-5-yl)ethan-1-one,
5-acetyl-4-methylpyrimidine,
SCHEMBL8578654,
ULLKFRGCRYFTHF-UHFFFAOYSA-N,
MFCD09263922,
ZINC26466944,
AKOS012063327,
MCULE-6235367249,
Ethanone, 1-(4-methyl-5-pyrimidinyl)-,
AK464963,
DS-18832,
ETHANONE,1-(4-METHYL-5-PYRIMIDINYL)-,
Ethanone,1- -,
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| Complexity | 136 |
| 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 | 1 |
| Topological Polar Surface Area | 42.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number