Oct-2-enedioic acid
Basic information
- CAS
5698-50-0- Standard SMILES
O=C(O)C=CCCCCC(=O)O- InChIKey
BNTPVRGYUHJFHN-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- Oct-2-enedioic acid
- IUPAC
- oct-2-enedioic acid
- English name
- (E)-oct-2-enedioic acid
- Molecular formula
- C8H12O4
- Molecular weight
- 0
Names & synonyms
oct-2-enedioic acidDTXSID30863600RefChem:1093730DTXCID70812192Octenedioic acidSCHEMBL747519SCHEMBL9273690NS00120457(E)-oct-2-enedioic acid
Database identifiers
- CAS
5698-50-0- PubChem CID
- 225490
- DTXSID
DTXSID30863600
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Chemistry & industry
Additional notes
DefinitionChEBI: 2-Octenedioic acid is a dicarboxylic fatty acid and a monounsaturated fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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