Basic information
- Standard SMILES
CCCCCCC/C=C/C(CC(=O)O)C(=O)O- InChIKey
ZULPAAAQJDSXHH-CMDGGOBGSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- 2-[(1E)-1-Nonen-1-yl]succinic acid
- IUPAC
- 2-[(E)-non-1-enyl]butanedioic acid
Names & synonyms
SCHEMBL1961018DTXSID9013522452-[(1E)-1-Nonen-1-yl]succinic acid
Database identifiers
- PubChem CID
- 22015248
- DTXSID
DTXSID901352245- Nikkaji
- J120.652D
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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