3-cyano-4-(pyrrolidin-1-yl)benzoic acid
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CAS号 | 1311318-16-7 |
SMILES | c1cc(c(cc1C(=O)O)C#N)N2CCCC2 |
Inchi | InChI=1S/C12H12N2O2/c13-8-10-7-9(12(15)16)3-4-11(10)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2,(H,15,16) |
InchiKey | CZKUWDUKUYKZFL-UHFFFAOYSA-N |
分子式 Formula | C12H12N2O2 |
分子量 Molecular Weight | 216 |
闪点 FP | 220.2±27.3 ℃ |
沸点 Boiling point | 440.5±40.0 ℃ at 760 mmHg |
Polarizability极化度 | 23.0±0.5 10-24cm3 |
密度 Density | 1.3±0.1 g/cm3 |
蒸汽压 Vapor Pressure | 0.0±1.1 mmHg at 25℃ |
储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |