Structure Database (LMSD)

Common Name
Propan-1-ol
Systematic Name
Propan-1-ol
Synonyms
LM ID
LMFA05000101
Status
Active
Exact Mass
Calculate m/z
60.057515
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)
BDERNNFJNOPAEC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
SMILES (Click to copy)
OCCC

References

Comments
Pherobase

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 4
Rings 0
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 69.25
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 0.67
Molar Refractivity 17.87

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Created at
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Updated at
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