Basic information
- CAS
7499-70-9- Standard SMILES
CC1CCC(=O)C=C1CCCC(=O)O- InChIKey
FWHYZFHUBKZLDD-UHFFFAOYSA-N- Molecular formula
- C11H16O3
- Average molar mass
- 196.24 g/mol
- Monoisotopic mass
- 196.10994437
Names & identifiers
- Preferred name
- 4-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
- IUPAC
- 4-(6-methyl-3-oxocyclohexen-1-yl)butanoic acid
Names & synonyms
7499-70-9NSC407689DTXSID00324778NSC-4076894-(6-Methyl-3-oxocyclohex-1-en-1-yl)butanoic acid
Database identifiers
- CAS
7499-70-9- PubChem CID
- 348408
- DTXSID
DTXSID00324778
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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