Basic information
- CAS
245079-04-3- Standard SMILES
C#CCC(CC)C(=O)O- InChIKey
SCVQTLFYEQFSLX-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- 2-Ethyl-4-pentynoic acid
- IUPAC
- 2-ethylpent-4-ynoic acid
Names & synonyms
2-Ethyl-4-pentynoic acid4-Pentynoic acid, 2-ethyl-245079-04-3SCHEMBL3104169SCHEMBL3104177AKOS006377884
Database identifiers
- CAS
245079-04-3- PubChem CID
- 154263
- Nikkaji
- J978.734H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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