structural formula
| business number | 03zv |
|---|---|
| molecular formula | c4h6n4 |
| molecular weight | 110.12 |
| label |
none |
numbering system
cas number:156-81-0
mdl number:mfcd00038023
einecs number:205-862-3
rtecs number:none
brn number:none
pubchem number:24870498
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
1. moore refraction rate: 30.90
2. molar volume （cm3/mol）：80.4
3. isotonic specific volume（90.2k）：247.2
4. surface tension （dyne/ cm): 89.2
5. dielectric constants: none available
6. dipole distance（10 -24cm3)：not available
7, polarization rate: 12.25
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.5
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 0
5. number of tautomers: 9
6. topological molecule polar surface area 77.8
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 74.4
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
arion polar surface area 77.8
7. number of heavy atoms: 8
8. surface charge: 0
9. complexity: 74.4
10. number of isotope atoms: 0
11. number of determined atomic stereocenters: 0
12. number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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