5-methylsalicylic acid
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
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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