TPCN01058
![[object Object]](../../static/browser_molecular_png/TPCN01058.png)
| Name | Acoric acid |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 |
| CAS Registry Number | 5956-06-9 |
| SMILES | CC(C)C(=O)C1(C(C)CC(=O)O)CCC(C)C(=O)C1 |
| Classify | Sesquiterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Acoraceae | Acorus calamus | Subterraneous stems | 0.003000% | Molecules 22(4).(2017) | 10.3390/molecules22040529 |
Properties
| HBA | 4 | HBD | 1 |
| HeavyAtoms | 19 | AlogP | 2.70 |
| TPSA | 71.44 | RotatableBonds | 5 |
| FractionCSP3 | 0.80 | Rings | 1 |
| AromaticRings | 0 | AliphaticRings | 1 |