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ScientificNameLabel
2-Propanol
PHCD compound ID : 2233
Chemical Names :
Propan-2-ol , 2-Propanol
Molecular Formula : C3H8O1
Molecular Weight : 60.057515
More Details :
Names & Synonyms: propan-2-ol , 2-propanol
Smiles: CC(O)C
InChi : InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChi Key : InChIKey=KFZMGEQAYNKOFK-UHFFFAOYSA-N
PubChem ID : 3776
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.650143
Hydrogen bond donor count : 1 Electric dipole moment : 2.082
XLogP : 0.384 VDW volume : 69.234639
Molecular weight : 60.057515 HOMO-LUMO gap : 13.708000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
587.      Journal:'Leffingwell Reports'      Year:'2015'      Volume:'7'      Page:'1'      DOI:''      Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
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