Basic information
- CAS
109467-28-9- Standard SMILES
O=C(O)C=CC(=CC(=O)O)C(=O)O- InChIKey
KJOVGYUGXHIVAY-UHFFFAOYSA-N- Molecular formula
- C7H6O6
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.01643791
Overview
buta-1,3-diene-1,2,4-tricarboxylic acid has been reported in Pseudomonas putida with data available.
Names & identifiers
- Preferred name
- Buta-1,3-diene-1,2,4-tricarboxylic acid
- IUPAC
- buta-1,3-diene-1,2,4-tricarboxylic acid
Names & synonyms
buta-1,3-diene-1,2,4-tricarboxylic acid109467-28-9DTXSID40274268RefChem:1080229DTXCID702257481,3-Butadiene-1,2,4-tricarboxylic acid,(Z,Z)SCHEMBL346501
Database identifiers
- CAS
109467-28-9- PubChem CID
- 399
- DTXSID
DTXSID40274268
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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