| CAS Number | 954232-79-2 |
| Catalog Number | AG01C251 |
| Chemical Name | 4-Cyclopropylpyrimidine-5-carboxylic acid |
| IUPAC Name | 4-cyclopropylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C8H8N2O2/c11-8(12)6-3-9-4-10-7(6)5-1-2-5/h3-5H,1-2H2,(H,11,12) |
| InChI Key | VEXMJAAOVBVENI-UHFFFAOYSA-N |
| MDL Number | MFCD09750207 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | OC(C1=C(C2CC2)N=CN=C1)=O |
| Synonyms | 4-cyclopropylpyrimidine-5-carboxylic acid,
954232-79-2,
SCHEMBL1014875,
VEXMJAAOVBVENI-UHFFFAOYSA-N,
ZINC38579945,
AKOS010967804,
5-Pyrimidinecarboxylic acid, 4-cyclopropyl-,
Z2255082015,
4-cyclopropyl-5-Pyrimidinecarboxylic acid,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.164g/mol |
| Monoisotopic Mass | 164.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number