| CAS Number | 92084-99-6 |
| Catalog Number | AG0067S5(AGN-PC-03LAIM) |
| Chemical Name | 4-Phenylpyrimidine-5-carboxylic acid |
| IUPAC Name | 4-phenylpyrimidine-5-carboxylic acid |
| InChI | InChI=1S/C11H8N2O2/c14-11(15)9-6-12-7-13-10(9)8-4-2-1-3-5-8/h1-7H,(H,14,15) |
| InChI Key | PDTTUTBMTVDZKV-UHFFFAOYSA-N |
| MDL Number | MFCD09835877 |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.1934 |
| SMILES | C1(=CC=CC=C1)C1=NC=NC=C1C(=O)O |
| Synonyms | 4-phenylpyrimidine-5-carboxylic acid,
92084-99-6,
4-phenyl-pyrimidine-5-carboxylic acid,
5-Pyrimidinecarboxylic acid, 4-phenyl-,
ACMC-20lvfz,
SCHEMBL1968241,
CTK3G2561,
DTXSID60623057,
PDTTUTBMTVDZKV-UHFFFAOYSA-N,
ZINC82531310,
AKOS022771246,
ACN-038285,
NE14534,
AJ-125411,
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| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.197g/mol |
| Monoisotopic Mass | 200.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number