Basic information
- CAS
6247-66-1- Standard SMILES
C/C(=C/C(=O)O)CC/C=C(/C)C(=O)O- InChIKey
IUBQEOXMIZDLSO-HSHIGALWSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
- Monoisotopic mass
- 198.08920892
Names & identifiers
- Preferred name
- (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
- IUPAC
- (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
Names & synonyms
NSC97239NSC-97239(2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
Database identifiers
- CAS
6247-66-1- PubChem CID
- 6476996
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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