Structure Database (LMSD)

Common Name
tridecanal
Systematic Name
tridecanal
Synonyms
LM ID
LMFA06000074
Formula
Exact Mass
Calculate m/z
198.198365
Sum Composition
Status
Active


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

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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