Structure Database (LMSD)

Common Name
Butan-1-ol
Systematic Name
Butan-1-ol
Synonyms
LM ID
LMFA05000109
Status
Active
Exact Mass
Calculate m/z
74.073165
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

Category
Main Class
Sub Class

String Representations

InChiKey (Click to copy)
LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES (Click to copy)
OCCCC

References

Comments
Pherobase

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 86.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.06
Molar Refractivity 22.48

Reactions

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Reactions graph legend

Admin

Created at
-
Updated at
25th Apr 2022