| CAS Number | 1092299-36-9 |
| Catalog Number | AG007TEM(AGN-PC-0WB59I) |
| Chemical Name | 2-Ethyl-4-pyrimidinecarboxaldehyde |
| IUPAC Name | 2-ethylpyrimidine-4-carbaldehyde |
| InChI | InChI=1S/C7H8N2O/c1-2-7-8-4-3-6(5-10)9-7/h3-5H,2H2,1H3 |
| InChI Key | AEHRKLWPICLPHR-UHFFFAOYSA-N |
| MDL Number | MFCD11519862 |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.1512 |
| SMILES | N1C(=CC=NC=1CC)C=O |
| Synonyms | 2-ETHYL-4-PYRIMIDINECARBALDEHYDE,
1092299-36-9,
2-Ethylpyrimidine-4-carbaldehyde,
CTK4A6371,
DTXSID50652876,
ALBB-027007,
5047AH,
MFCD11519862,
ZINC26505849,
4-pyrimidinecarboxaldehyde, 2-ethyl-,
AKOS000284211,
AJ-82468,
2-Ethyl-4-pyrimidinecarbaldehyde, AldrichCPR,
Y-6804,
C7H8N2O,
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| Complexity | 116 |
| 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 | 0.8 |
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Certificate of Analysis
Lot Number