2-Carboxymethylthiosuccinic Acid 2-(Carboxymethylthio)succinic 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:99-68-3

MDL number:None

EINECS number:202-778-9

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

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Toxicological data

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Ecological data

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Molecular structure data

1. Molar refractive index: 42.49

2. Molar volume (cm³/mol): 125.7

3. Isotonic specific volume (90.2K ): 384.2

4. Surface tension (dyne/cm): 87.0

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.84

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.4

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 137

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 225

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

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