6-n-Propylsalicylic acid
PubChem CID: 18539406
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| Compound Synonyms | 6-n-propylsalicylic acid, SCHEMBL2129140 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 179.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-6-propylbenzoic acid |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Is Pains | False |
| Molecular Formula | C10H12O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GSCKNWYHELSSSU-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 6-n-Propylsalicylic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 180.079 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 180.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 180.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9781970615384616 |
| Inchi | InChI=1S/C10H12O3/c1-2-4-7-5-3-6-8(11)9(7)10(12)13/h3,5-6,11H,2,4H2,1H3,(H,12,13) |
| Smiles | CCCC1=C(C(=CC=C1)O)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ginkgo Biloba (Plant) Rel Props:Source_db:cmaup_ingredients