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(+)-cis-2-Benzamidocyclohexanecarboxylic Acid (+/-)-trans-2-benzoylamino-cyclohexane carboxylic acid (+-)-trans-2-Benzoylamino-cyclohexancarbonsaeure
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The boiling point is 506.1ºC at 760 mmHg
Melting point 205-209 °C(lit.)
Molecular formula C14H17NO3
Molecular weight 247.29000
Flash point 259.9ºC
Accurate mass 247.12100
PSA 66.40000
LogP 2.45070
Vapor pressure 4.59E-11mmHg at 25°C
Refractive index 36.5 ° (C=0.5, EtOH)
Storage condition
Store in a tight container in a cool, dry place
stability
Avoid exposure to strong oxidants
Molecular structure
1. Molar refractive index: 67.12
2. Molar volume (m3/mol) : 203.1
3, equal volume (90.2K) : 546.2
4. Surface tension (dyne/cm) : 52.2
5. Polarization (10-24cm 3) : 26.61
Computational chemistry
1. Reference value of hydrophobic parameter calculation (XlogP) : 2.7
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond receptors: 3
4. Number of rotatable bonds: 3
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA) : 66.4
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 310
10. Number of isotope atoms: 0
11. Determine the number of atomic constitutive centers: 0
12. Number of uncertain atomic constitutive centers: 2
13. Determine the number of chemical bond structure centers: 0
14. Number of uncertain chemical bond structure centers: 0
15. Number of covalent bond units: 1
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