| CAS Number | 16879-53-1 |
| Catalog Number | AG001YAX(AGN-PC-03EW79) |
| Chemical Name | 4-Pyrimidinecarboxylic acid, 2-phenyl- |
| IUPAC Name | 2-phenylpyrimidine-4-carboxylic acid |
| InChI | InChI=1S/C11H8N2O2/c14-11(15)9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H,(H,14,15) |
| InChI Key | RBPXFHFYDRRIJQ-UHFFFAOYSA-N |
| MDL Number | MFCD09258697 |
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.1934 |
| SMILES | O=C(C1=NC(C2=CC=CC=C2)=NC=C1)O |
| Synonyms | 2-phenylpyrimidine-4-carboxylic acid,
16879-53-1,
2-phenyl-4-pyrimidinecarboxylic acid,
4-Pyrimidinecarboxylic acid, 2-phenyl-,
SCHEMBL696116,
AC1Q743B,
CTK0E5176,
DTXSID50617208,
RBPXFHFYDRRIJQ-UHFFFAOYSA-N,
ZINC25493196,
2-phenyl-pyrimidine-4-carboxylic acid,
AKOS000284257,
AJ-82013,
AK156566,
FT-0768255,
EN300-89813,
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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 | 1.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number