TPCN00722
![[object Object]](../../static/browser_molecular_png/TPCN00722.png)
| Name | Vanillin |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.15 |
| CAS Registry Number | 121-33-5 |
| SMILES | COc1cc(C=O)ccc1O |
| Classify | Monoterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Scrophulariaceae | Scrophularia ningpoensis | Roots | 0.000036% | Fitoterapia, 2013, 88, 44-49. | 10.1016/j.fitote.2013.04.005 |
Properties
| HBA | 3 | HBD | 1 |
| HeavyAtoms | 11 | AlogP | 1.21 |
| TPSA | 46.53 | RotatableBonds | 2 |
| FractionCSP3 | 0.13 | Rings | 1 |
| AromaticRings | 1 | AliphaticRings | 0 |