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Chemical manufacturer | ||||
Name | 3-(2-Pyrimidinylmethyl)Benzoic Acid |
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Synonyms | 3-Pyrimidin-2-ylmethyl-benzoic acid |
Molecular Structure | |
Molecular Formula | C12H10N2O2 |
Molecular Weight | 214.22 |
CAS Registry Number | 562803-69-4 |
SMILES | C1=CC(=CC(=C1)C(=O)O)CC2=NC=CC=N2 |
InChI | 1S/C12H10N2O2/c15-12(16)10-4-1-3-9(7-10)8-11-13-5-2-6-14-11/h1-7H,8H2,(H,15,16) |
InChIKey | CZXRPFHLIMKLEM-UHFFFAOYSA-N |
Desity | 1.3±0.1g/cm3 (Cal.) |
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Boiling point | 417.8±38.0°C at 760 mmHg (Cal.) |
Flash point | 206.5±26.8°C (Cal.) |
Refractive index | 1.617 (Cal.) |
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