oxidized terebic acid terebic acid
structural formula
| business number | 01q7 |
|---|---|
| molecular formula | c7h10o4 |
| molecular weight | 158.15 |
| label |
2,2-dimethylparalysis aconitic acid |
numbering system
cas number:79-91-4
mdl number:none
einecs number:201-233-2
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. physical property data
1. character: uncertain.
2. density (g/ml,25/4℃): unsure
3. relative vapor density (g/ml,air=1): unsure
4. melting point (ºc): unsure
5. boiling point (ºc,normal pressure): uncertain
6. boiling point (ºc,5.2kpa): unsure
7. refractive index: uncertain
8. flash point (ºc): unsure
9. specific optical rotation (º): unsure
10. autoignition point or ignition temperature (ºc): unsure
11. vapor pressure (kpa,25ºc): unsure
12. 17. explosion upper limit (%,v/v): unsure
18. lower explosion limit (%,v/v): unsure
19. solubility: uncertain.
toxicological data
none yet
ecological data
none yet
molecular structure data
5. molecular property data:
1. molar refractive index: 35.61
2. molar volume (m3/mol）：126.9
3. isotonic specific volume (90.2k):322.6
4. surface tension (dyne/cm):41.7
5. polarizability（10-24cm3):14.11
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: 2
6. topological molecule polar surface area 63.6
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 207
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
9pt; font-family: arial”>m3/mol):126.9
3. isotonic specific volume (90.2k):322.6
4. surface tension (dyne/cm):41.7
5. polarizability（10-24cm3):14.11
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: 2
6. topological molecule polar surface area 63.6
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 207
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
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
