1-Butene-1,2,4-tricarboxylic acid
Basic information
- CAS
13366-20-6- Standard SMILES
O=C(O)C=C(CCC(=O)O)C(=O)O- InChIKey
BJYPZFUWWJSAKC-UHFFFAOYSA-N- Molecular formula
- C7H8O6
- Average molar mass
- 188.13 g/mol
- Monoisotopic mass
- 188.03208797
Names & identifiers
- Preferred name
- 1-Butene-1,2,4-tricarboxylic acid
- IUPAC
- but-1-ene-1,2,4-tricarboxylic acid
Names & synonyms
13366-20-6RefChem:2289781-Butene-1,2,4-tricarboxylic acidSCHEMBL860029DTXSID501336348
Database identifiers
- CAS
13366-20-6- PubChem CID
- 440193
- DTXSID
DTXSID501336348
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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