3-(1-Naphthyl)acrylic acid CAS13026-12-5

Details:

Density 1.2± 0.1g /cm3
Boiling point 393.1±11.0 °C at 760 mmHg
Melting point 210-212°C
Molecular formula C13H10O2
Molecular weight 198.217
Flash point 290.7±10.2 °C
Accurate mass 198.068085
PSA 37.30000
LogP is 3.64
Appearance properties light white crystalline powder
Vapor pressure 0.0±1.0 mmHg at 25°C
Refractive index 1.701
Storage condition
Room temperature closed light, ventilated dry place

stability
Stable at normal temperature and pressure

Avoid material oxides
Molecular structure
1. Molar refractive index: 61.54

2. Molar volume (m3/mol) : 159.1

3. Isographic volume (90.2K) : 435.8

4. Surface tension (dyne/cm) : 56.2

5. Polarization (10-24cm3) : 24.40

Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) :3.1

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :2

4. Number of rotatable bonds :2

5. Number of tautomers: None

6. Topological molecular polar surface area 37.3

7. Number of heavy atoms :15

8. Surface charge :0

9. Complexity :257

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 :1

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

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