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ω-Phenylpropanoic acid 3-Phenylpropionic Acid 3-phenylpropionate
1. Product advantages
♦ High purity, all above 98.5%, no impurities after dissolution
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2. Factory advantages
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♦ More than 1000 m2 of factory production line to ensure stable supply
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Density 1.07
Boiling point 279-281 ºC
Melting point 47-50 ºC
Molecular formula C9H10O2
Molecular weight 150.174
Flash point 170.0±13.9 °C
Accurate mass 150.068085
PSA 37.30000
LogP is 1.84
Appearance character white crystal block
Vapor pressure 0.0±0.6 mmHg at 25°C
Refractive index 1.542
Storage condition
Store sealed in a ventilated, dry environment
stability
1. Use and storage according to specifications, will not decompose, avoid contact with oxides.
2. It exists in flue-cured tobacco leaf, flavoured tobacco leaf and flue gas.
3. Found naturally in beer, cheese, and strawberries.
Molecular structure
1. Molar refractive index: 41.99
2. Molar volume (cm3/mol) : 133.3
3. Isotropic specific volume (90.2K) : 345.4
4. Surface tension (dyne/cm) : 44.9
5. Polarization (10-24cm3) : 16.64
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :1
3. Number of hydrogen bond receptors :2
4. Number of rotatable bonds :3
5. Number of tautomers: None
6. Topological molecular polar surface area 37.3
7. Number of heavy atoms :11
8. Surface charge :0
9. Complexity :126
10. Number of isotope atoms :0
11. Determine the number of primary constitutive centers :0
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :1
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