| CAS Number | 1211533-70-8 |
| Catalog Number | AG00A9XY(AGN-PC-0WNNNH) |
| Chemical Name | 2-Cyclopropylpyrimidine-4-carboxylic acid |
| IUPAC Name | 2-cyclopropylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C8H8N2O2/c11-8(12)6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2,(H,11,12) |
| InChI Key | AWRCBKGYINDHAL-UHFFFAOYSA-N |
| MDL Number | MFCD16866567 |
| Molecular Formula | C8H8N2O2 |
| Molecular Weight | 164.1613 |
| SMILES | O=C(C1=NC(C2CC2)=NC=C1)O |
| Synonyms | 2-cyclopropylpyrimidine-4-carboxylic acid,
1211533-70-8,
SCHEMBL5752341,
MFCD16866567,
ZINC54792749,
AKOS012041418,
MCULE-4176247285,
NE39832,
AS-43281,
EN300-75177,
Z1259335792,
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| 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 | 0.6 |
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Certificate of Analysis
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