MDL | MFCD06658737 |
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InChIKey | HEFNNWSXXWATRW-HPRDVNIFSA-N |
Inchi | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3 |
SMILES | CC(CC1C=CC(C(C([2H])([2H])[2H])C(=O)O)=CC=1)C |
LogP | 3.07320 |
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PSA | 37.30000 |
折射率 | 1.519 |
沸点 | 319.6±11.0 °C at 760 mmHg |
熔点 | 69-71°C |
蒸气压 | 0.0±0.7 mmHg at 25°C |
闪点 | 9℃ |
浓度 | 100 μg/mL in methanol |
颜色与性状 | No date available |
密度 | 1.0±0.1 g/cm3 |
精确分子量 | 209.15000 |
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Reaxys RN |
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SMILES
CC(C)CC1=CC=C(C=C1)C(C(O)=O)C([2D])([2D])[2D]