2-phenyl-3-butyn-2-ol 2-phenyl-3-butyn-2-ol
structural formula
| business number | 03l2 |
|---|---|
| molecular formula | c10h10o |
| molecular weight | 146.19 |
| label |
α-methyl-α-ethynylbenzyl alcohol, 2-phenyl-3-butyl-2-ol, heterocyclic compounds |
numbering system
cas number:127-66-2
mdl number:mfcd00004454
einecs number:204-855-2
rtecs number:none
brn number:1100096
pubchem number:es0840000
physical property data
none
toxicological data
1, acute toxicity: mice oral ld5o: 620mg/kg
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 44.00
2. molar volume (m3/mol):137.3
3. isotonic specific volume (90.2k):351.0
4. surface tension (dyne/cm):42.6
5. polarizability（10-24cm3):17.44
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 1.5
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 2
5. number of tautomers: none
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 171
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
storage method
none
synthesis method
none
purpose
none
