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ScientificNameLabel
2-Methylpent-3-enoic acid
PHCD compound ID : 2226
Chemical Names :
2-Methylpent-3-enoic acid
Molecular Formula : C6H10O2
Molecular Weight : 114.06808
More Details :
Names & Synonyms: (E)-2-methylpent-3-enoic acid , (E)-2-methyl-3-pentenoic acid
Smiles: C[C@H](C(=O)O)/C=C/C
InChi : InChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+/t5-/m0/s1
InChi Key : InChIKey=NFRJJFMXYKSRPK-BHYDHMSTSA-N
PubChem ID : 6435866
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.054744
Hydrogen bond donor count : 1 Electric dipole moment : 2.100
XLogP : 1.303 VDW volume : 124.639902
Molecular weight : 114.06808 HOMO-LUMO gap : 10.709000
Herb list :
Refrences & Litretures:
  
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
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