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Decanoic acid | SBID = 1056 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 37.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 4.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 151.4 | ||
| Sum Formula: | C10H20O2 | ||
| M / g/mol: | 172.26 | ||
| Complexity: | 110.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Decanoic acid
- Preferred Abbreviation: Decanoic acid
- IUPAC Name: decanoic acid
- CAS: 334-48-5
- CID: 2969
- InChiKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N
- InChi: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
- CanoSmiles: CCCCCCCCCC(=O)O
- IsoSmiles: CCCCCCCCCC(=O)O
