Basic information
- CAS
505-70-4- Standard SMILES
O=C(O)C=CC=CC(=O)O- InChIKey
TXXHDPDFNKHHGW-UHFFFAOYSA-N- Molecular formula
- C6H6O4
- Average molar mass
- 142.11 g/mol
- Monoisotopic mass
- 142.02660867
Names & identifiers
- Preferred name
- 2,4-Hexadienedioic acid, (2Z,4Z)-
- IUPAC
- hexa-2,4-dienedioic acid
Names & synonyms
2,4-Hexadienedioic acid, (2Z,4Z)-(2E,4E)-Hexadienedioic acidSCHEMBL2726TXXHDPDFNKHHGW-UHFFFAOYSA-N(2Z,4Z)-2,4-Hexadienedioic acidAKOS025243509DA-47820NS00080337
Database identifiers
- CAS
505-70-4- PubChem CID
- 310
- DTXSID
DTXSID8049674
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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