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Trans-2-Nonenal

CAT: 0127-OR1015266-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR1015266-01Size:1 g
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CAS Number
18829-56-6
MDL Number
MFCD00007012
Purity
98%
Smiles
CCCCCC\C=C\C=O

Chemical Information

2-Nonenal

(E)-non-2-enal is a monounsaturated fatty aldehyde that is (2E)-non-2-ene which is carrying an oxo group at position 1. It has a role as a plant metabolite. It is a medium-chain fatty aldehyde, an enal and a monounsaturated fatty aldehyde.

CAS Number18829-56-6
PubChem CID5283335
IUPAC Name(E)-non-2-enal
Molecular FormulaC9H16O
Molecular Weight140.22
XLogP3.1
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count10
Formal Charge0
Complexity94
SMILES
CCCCCC/C=C/C=O
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+
InChIKey
BSAIUMLZVGUGKX-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 2-Nonenal
CAS: 18829-56-6
CID: 5283335
Formula: C9H16O
MW: 140.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight140.22
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass140.120115130
Monoisotopic Mass140.120115130
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes