| CAS Number | 1073-53-6 |
| Catalog Number | AG009QW9(AGN-PC-0OX4KZ) |
| Chemical Name | 6-Methylpyrimidine-4-carbaldehyde |
| IUPAC Name | 6-methylpyrimidine-4-carbaldehyde |
| InChI | InChI=1S/C6H6N2O/c1-5-2-6(3-9)8-4-7-5/h2-4H,1H3 |
| InChI Key | UVJSZAAUOFNPPG-UHFFFAOYSA-N |
| MDL Number | MFCD09881197 |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.1246 |
| SMILES | CC1=NC=NC(C=O)=C1 |
| Synonyms | 6-methylpyrimidine-4-carbaldehyde,
1073-53-6,
4-Pyrimidinecarboxaldehyde, 6-methyl- (7CI,8CI),
SCHEMBL4866195,
4-pyrimidinecarbaldehyde,6-methyl-,
6-methyl-pyrimidine-4-carbaldehyde,
ZINC20443755,
4-Pyrimidinecarboxaldehyde, 6-methyl-,
AKOS012036918,
DA-48009,
FT-0710288,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.127g/mol |
| Monoisotopic Mass | 122.048g/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 |
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Certificate of Analysis
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