Basic information
- CAS
180917-24-2- Standard SMILES
CCOC(=O)/C=C(C)/C=C/CBr- InChIKey
USVGFYYKFLLNIT-AOSYACOCSA-N- Molecular formula
- C9H13BrO2
- Average molar mass
- 233.1 g/mol
- Monoisotopic mass
- 232.00989
Names & identifiers
- Preferred name
- Ethyl (2E,4E)-6-bromo-3-methyl-2,4-hexadienoate
- IUPAC
- ethyl (2E,4E)-6-bromo-3-methylhexa-2,4-dienoate
Names & synonyms
DTXSID601242615Ethyl (2E,4E)-6-bromo-3-methyl-2,4-hexadienoateEthyl (2E,4E)-6-bromo-3-methylhexa-2,4-dienoate180917-24-2
Database identifiers
- CAS
180917-24-2- PubChem CID
- 124635688
- DTXSID
DTXSID601242615
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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