Basic information
- CAS
495-89-6- Standard SMILES
O=C(O)/C=C\C=C/c1ccc2c(c1)OCO2- InChIKey
RHBGITBPARBDPH-CCAGOZQPSA-N- Molecular formula
- C12H10O4
- Average molar mass
- 218.2 g/mol
- Monoisotopic mass
- 218.0579088
Names & identifiers
- Preferred name
- Chavicinic acid
- IUPAC
- (2Z,4Z)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Names & synonyms
Chavicinic acidPiperic acid, (Z,E)-UNII-JUO0E351AYJUO0E351AY495-89-6CHEMBL1371235PIPERIC ACID, (Z,Z)-NCGC00014297PIPERIC ACID (Z,Z)-FORM [MI]NCGC00014297-02NCGC00097406-01Q27281705
Show more names
2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (2Z,4Z)-2,4-PENTADIENOIC ACID, 5-(1,3-BENZODIOXOL-5-YL)-, (Z,Z)-5-(1,3-BENZODIOXOL-5-YL)-2,4-PENTADIENOIC ACID, (2Z,4Z)-
Database identifiers
- CAS
495-89-6- PubChem CID
- 5771622
- ChEMBL
CHEMBL1371235- UNII
- JUO0E351AY
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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