Basic information
- CAS
5469-28-3- Standard SMILES
CCCC(=CC(=O)O)C(=O)O- InChIKey
CCKSYUMJLIMSQK-UHFFFAOYSA-N- Molecular formula
- C7H10O4
- Average molar mass
- 158.15 g/mol
- Monoisotopic mass
- 158.0579088
Names & identifiers
- Preferred name
- 2-Propylbut-2-enedioic acid
- IUPAC
- 2-propylbut-2-enedioic acid
Names & synonyms
2-propylbut-2-enedioic acid5469-28-3SCHEMBL155967DTXSID90282272
Database identifiers
- CAS
5469-28-3- PubChem CID
- 230409
- DTXSID
DTXSID90282272
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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