structural formula
| business number | 03g2 |
|---|---|
| molecular formula | c6h6n2o |
| molecular weight | 122.12 |
| label |
c2h5och=c(cn)2, ethoxydicyanoethylene, ethoxymethylenemalononitrile, ethoxymethylene propylene glycol, ethoxymethylenemalonide, ethoxymethenylmalononitrile, aliphatic compounds |
numbering system
cas number:123-06-8
mdl number:mfcd00001854
einecs number:204-597-0
rtecs number:oo3850000
brn number:1634241
pubchem id:none
physical property data
none yet
toxicological data
1, acute toxicity: mice through peritoneal cavity ld5o: 50mg/kg
ecological data
none yet
molecular structure data
5. molecular property data:
1, molar refractive index:31.31
2, molar volume (m3/mol):114.1
3, isotonic specific volume (90.2k): 290.5
4, surface tension (dyne/cm): 41.9
5、 polarizability (10-24cm3):12.41
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.5
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: none
6. topological molecule polar surface area 56.8
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 182
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
ttom-alt: auto; mso-pagination: wi-orphan; tab-stops: list 36.0pt” align=left>5, polarizability (10-24cm3):12.41
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.5
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: none
6. topological molecule polar surface area 56.8
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 182
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
微信扫一扫打赏
