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ScientificNameLabel
4-Methyl-2-pentenoic acid
PHCD compound ID : 5472
Chemical Names :
4-Methyl-2-pentenoic acid
Molecular Formula : C6H10O2
Molecular Weight : 114.06808
More Details :
Names & Synonyms: (E)-4-methylpent-2-enoic acid , (E)-4-methyl-2-pentenoic acid , (E)-4-methylpent-2-enoic acid
Smiles: CC(/C=C/C(=O)O)C
InChi : InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3+
InChi Key : InChIKey=QAOXMQCWUWZZNC-ONEGZZNKSA-N
PubChem ID : 642039
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.717516
Hydrogen bond donor count : 1 Electric dipole moment : 2.607
XLogP : 1.704 VDW volume : 124.639902
Molecular weight : 114.06808 HOMO-LUMO gap : 10.500000
Herb list :
Refrences & Litretures:
  
912.      Journal:'Food Quality and Safety, 2019, 3, 243'      Year:'2019'      Volume:'3'      Page:'243'      DOI:'10.1093/fqsafe/fyz022'      Title:'The antioxidant and physicochemical properties of microencapsulated bioactive compounds in Securigera securidaca (L.) seed extract by co-crystallization'
957.      Journal:'Food Quality and Safety'      Year:'2019'      Volume:'3'      Page:'243'      DOI:'10.1093/fqsafe/fyz022'      Title:'The antioxidant and physicochemical properties of microencapsulated bioactive compounds in Securigera securidaca (L.) seed extract by co-crystallization'
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