2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
Basic information
- CAS
76799-84-3- Standard SMILES
CC(=CC=CC(=O)O)C(=O)O- InChIKey
VCPQFDRBOZTBAO-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- 2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-
- IUPAC
- 2-methylhexa-2,4-dienedioic acid
Names & synonyms
76799-84-32-methylhexa-2,4-dienedioic acid2,4-Hexadienedioic acid, 2-methyl-, (2Z,4Z)-SCHEMBL2313038DTXSID60341502
Database identifiers
- CAS
76799-84-3- PubChem CID
- 573501
- DTXSID
DTXSID60341502
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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