rodentin

structural formula

business number	01tj
molecular formula	c14h14o3
molecular weight	230.26
label	2-pivaloyl-1,3-indandione, the rat is over, rodentin, pintone, 2-(2,2-dimethyl-1-oxopropyl)-1h-indene-1,3-(2h)dione, pival, pivalyl, pivacin, ,pivaldion, pivalyn, 2-(2,2-dimethyl-1-oxopropyl)-1h-indene-1,3-(2h)dione, rodenticide

• 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:83-26-1

mdl number:mfcd00021230

einecs number:201-462-8

rtecs number:nk6300000

brn number:2051258

pubchem number:24899309

physical property data

1. character: bright yellow crystal

2. density (g/ml, 25/4℃): uncertain

3. &nb

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 61.75

2. molar volume (cm³/mol): 192.3

3. isotonic specific volume (90.2k ): 502.6

4. surface tension (dyne/cm): 46.6

5. polarizability (10^-24cm³): 24.48

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.7

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 2

5. number of tautomers: 3

6. topological molecule polar surface area 51.2

7. number of heavy atoms: 17

8. surface charge: 0

9. complexity: 351

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

storage method

none

synthesis method

none

purpose

none

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