1-Pentanoic acid | SBID = 876 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C5H10O2 | ||
| M / g/mol: | 102.1317 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aliphatic
- Name: 1-Pentanoic acid
- Preferred Abbreviation: Valeric acid
- IUPAC Name:
- CAS: 109-52-4
- CID: -269
- InChiKey: NQPDZGIKBAWPEJ-UHFFFAOYSA-N
- InChi: InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
- CanoSmiles: CCCCC(=O)O
- IsoSmiles: CCCCC(=O)O
