structural formula
| business number | 03zj |
|---|---|
| molecular formula | c8h12cln |
| molecular weight | 157.64 |
| label |
beta-phenylethylamine hydrochloride, 4-hydroxyphenylacetic acid, 4-hydroxyphenylacetic acid, p-hydroxyphenylacetic acid, p-hydroxyphenylacetic acid, 4-hydroxyphenylacetic acid, (p-hydroxyphenyl)-aceticaci, 4-carboxymethylphenol, 4-hydroxybenzeneacetic acid, 4-hydroxy-benzeneaceticaci, 4-hydroxybenzeneaceticacid, 4-hydroxyphenylethanoic acid |
numbering system
cas number:156-28-5
mdl number:mfcd00012893
einecs number:205-849-2
rtecs number:sh7175000
brn number:3624163
pubchem number:24898772
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
none
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
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 26
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 65
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: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
