| CAS Number | 1147710-24-4 |
| Catalog Number | AG019V5I(AGN-PC-0WOBI0) |
| Chemical Name | 4-ethylpyrimidine-5-carboxylic acid |
| IUPAC Name | 4-ethylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C7H8N2O2/c1-2-6-5(7(10)11)3-8-4-9-6/h3-4H,2H2,1H3,(H,10,11) |
| InChI Key | BKLBLUHPBJEDLW-UHFFFAOYSA-N |
| MDL Number | MFCD12197341 |
| Molecular Formula | C7H8N2O2 |
| Molecular Weight | 152.1506 |
| SMILES | CCC1=C(C(O)=O)C=NC=N1 |
| Synonyms | 4-ethylpyrimidine-5-carboxylic acid,
1147710-24-4,
5-Pyrimidinecarboxylic acid, 4-ethyl-,
AC1Q2SUC,
SCHEMBL8328355,
CTK6D2770,
ZINC32937840,
AKOS009838402,
MCULE-6327334228,
NE58091,
NCGC00331207-01,
EN300-43813,
AB00998915-01,
AB00998915-03,
Z449369112,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.153g/mol |
| Monoisotopic Mass | 152.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number