Structure Database (LMSD)

Common Name
3-heptenal
Systematic Name
3-heptenal
Synonyms
LM ID
LMFA06000020
Status
Active
Exact Mass
Calculate m/z
112.088815
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)
ORAQCSKNITWHDW-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h4-5,7H,2-3,6H2,1H3/b5-4+
SMILES (Click to copy)
CCC/C=C/CC([H])=O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 133.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 1.93
Molar Refractivity 34.73

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Created at
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Updated at
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