| CAS Number | 933702-51-3 |
| Catalog Number | AG01A60Z(AGN-PC-0WOAEK) |
| Chemical Name | 2,4-Dimethylpyrimidine-5-carbaldehyde |
| IUPAC Name | 2,4-dimethylpyrimidine-5-carbaldehyde |
| InChI | InChI=1S/C7H8N2O/c1-5-7(4-10)3-8-6(2)9-5/h3-4H,1-2H3 |
| InChI Key | CXHZFYWWPZMSGJ-UHFFFAOYSA-N |
| MDL Number | MFCD09863206 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | O=CC1=CN=C(C)N=C1C |
| Synonyms | 2,4-dimethylpyrimidine-5-carbaldehyde,
933702-51-3,
AC1Q2OUY,
ZINC39957348,
2,4-Dimethyl-5-pyrimidinecarbaldehyde,
AKOS006313590,
NE61864,
|
| Complexity | 127 |
| 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 | 0.5 |
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