Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA05000101
Common NamePropan-1-ol (W)
Systematic NamePropan-1-ol
Synonyms-
Exact Mass
60.0575 (neutral)    Calculate m/z:
FormulaC3H8O
CategoryFatty Acyls [FA]
Main ClassFatty alcohols [FA05]
Sub Class-
PubChem CID1031
HMDB IDHMDB0000820
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
SMILESOCCC
MS SpectraView MoNA MS spectra     
StatusActive
CommentsPherobase
Calculated physicochemical properties (?):
 Heavy Atoms4Rings0Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
69.25Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP0.67Molar
Refractivity
17.87