2,4-NONADIENAL, (2E,4E)-

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Keyword(s): Indoor Environment Substances
Molecule Category Free-form
UNII Y411G77SH7
EPA CompTox DTXSID30884198

Structure

InChI Key ZHHYXNZJDGDGPJ-BSWSSELBSA-N
Smiles CCCCC=CC=CC=O
InChI
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7+

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14O1
Molecular Weight 138.1
AlogP 2.49
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 5910-87-2
NORMAN SUSDAT
FDA SRS Y411G77SH7
PubChem 5283339
ChemSpider 4446460.0
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