Structure Database (LMSD)

Common Name
4-hydroxy caproaldehyde
Systematic Name
4-hydroxy-hexanal
Synonyms
LM ID
LMFA06000013
Status
Active
Exact Mass
Calculate m/z
116.08373
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)
HAPLZPWSLJPZBM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C6H12O2/c1-2-6(8)4-3-5-7/h5-6,8H,2-4H2,1H3
SMILES (Click to copy)
CCC(O)CCC([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 127.30
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.02
Molar Refractivity 32.11

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Updated at
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