Nona-2,4,6-trienal
Basic information
- CAS
56269-22-8- Standard SMILES
CCC=CC=CC=CC=O- InChIKey
XHDSWFFUGPJMMN-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
See also: 2,4,6-Nonatrienal (annotation moved to); 2,4,6-Nonatrienal, (2E,4E,6E)- (annotation moved to).
Names & identifiers
- Preferred name
- Nona-2,4,6-trienal
- IUPAC
- nona-2,4,6-trienal
Names & synonyms
NONA-2,4,6-TRIENAL2,4,6-nonatrien-1-alnonatrienalSCHEMBL811430SCHEMBL7289883XHDSWFFUGPJMMN-UHFFFAOYSA-NHCA01853AKOS030254957DB-250845
Database identifiers
- CAS
56269-22-8- PubChem CID
- 92083
- DTXSID
DTXSID0069090
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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Related reactions
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Compound notes
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