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
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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