Structure Database (LMSD)

Common Name
2E,4E-Hexadienyl acetate
Systematic Name
2E,4E-Hexadienyl acetate
Synonyms
LM ID
LMFA07010180
Status
Active
Exact Mass
Calculate m/z
140.08373
Formula
Abbrev



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
PXVKYPFROMBALG-VNKDHWASSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-3-4-5-6-7-10-8(2)9/h3-6H,7H2,1-2H3/b4-3+,6-5+
SMILES (Click to copy)
O(C(=O)C)C/C=C/C=C/C

References

Comments
Pherobase

Other Databases

HMDB ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 1.97
Molar Refractivity 41.08

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Created at
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Updated at
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