Structure Database (LMSD)
Common Name
2,4-heptadienal
Systematic Name
2,4-heptadienal
Synonyms
3D model of 2,4-heptadienal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
SATICYYAWWYRAM-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3/b4-3+,6-5+
SMILES (Click to copy)
CC/C=C/C=C/C([H])=O
References
Calculated Physicochemical Properties
Heavy Atoms
8
Rings
0
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
130.53
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
1.71
Molar Refractivity
34.63
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Created at
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Updated at
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