structural formula
| business number | 020v |
|---|---|
| molecular formula | c8h8o3 |
| molecular weight | 152.15 |
| label |
2-hydroxy-5-methylbenzoic acid, 2-hydroxy-5-methylbenzoic acid, p-cresotic acid, ch3c6h3(oh)co2h |
numbering system
cas number:89-56-5
mdl number:mfcd00002461
einecs number:201-918-6
rtecs number:gp3920200
brn number:1909076
pubchem number:24882053
physical property data
melting point (ºc): 152
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 39.88
2. molar volume (cm3/mol): 116.6
3. isotonic specific volume (90.2k ): 322.0
4. surface tension (dyne/cm): 58.0
5. polarizability (10-24cm3): 15.81
compute chemical data
1. hydrophobic parameter calculation reference value (xlogp): 2.8
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 1
5. number of tautomers: 4
6. topological molecular polar surface area (tpsa): 57.5
p>
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 155
10. number of isotope atoms : 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the chemical bond configuration number of centers: 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
