Basic information
- Standard SMILES
O=C(O)C=CC=C(C(=O)O)C(=O)O- InChIKey
SLUDRBHRUDRZJZ-UHFFFAOYSA-N- Molecular formula
- C7H6O6
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.01643791
Names & identifiers
- Preferred name
- 1,3-Butadiene-1,1,4-tricarboxylic acid
- IUPAC
- buta-1,3-diene-1,1,4-tricarboxylic acid
Names & synonyms
DTXSID3013443111,3-Butadiene-1,1,4-tricarboxylic acidRefChem:1052737DTXCID601772975SCHEMBL529630
Database identifiers
- PubChem CID
- 32
- DTXSID
DTXSID301344311
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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