Pteroic acid

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:119-24-4

MDL number:MFCD00075823

EINECS number:None

RTECS number:None

BRN number:None

PubChem number:24898244

Physical property data

None yet

Toxicological data

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Ecological data

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Molecular structure data

5. Molecular property data:

1, Moore Refractive index: 83.60

2, Molar volume (m³/mol):189.8

3、 Isotonic specific volume (90.2K) ：621.7

4, Surface Tension (dyne/cm):115.0

5、 Polarizability (10^-24cm³):233.14

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.3

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 36

6. Topological molecular polar surface area 143

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

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Storage method

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Synthesis method

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Purpose

None yet

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Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.3

2. Number of hydrogen bond donors: 4

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 4

5. Number of tautomers: 36

6. Topological molecular polar surface area 143

7. Number of heavy atoms: 23

8. Surface charge: 0

9. Complexity: 503

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet