Structure Database (LMSD)

Common Name
tridecanal
Systematic Name
tridecanal
Synonyms
LM ID
LMFA06000074
Status
Active
Exact Mass
Calculate m/z
198.198365
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)
BGEHHAVMRVXCGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
SMILES (Click to copy)
C(CCC)CCCCCCCCC([H])=O

References

Other Databases

HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 239.61
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.50
Molar Refractivity 62.53

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Created at
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Updated at
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