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Compound: 5546
Plants: 312
References: 992
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2-Phenyl-2-buten-1-al
ScientificNameLabel
2-Phenyl-2-buten-1-al
PHCD compound ID :
3943
Chemical Names :
2-Phenyl-2-buten-1-al
Molecular Formula :
C10H10O1
Molecular Weight :
146.073165
More Details :
Names & Synonyms:
(Z)-2-phenylbut-2-enal , (Z)-2-phenyl-2-butenal
Smiles:
C/C=C(/c1ccccc1)\C=O
InChi :
InChI=1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3/b9-2+
InChi Key :
InChIKey=DYAOGZLLMZQVHY-XNWCZRBMSA-N
PubChem ID :
5370644
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.459274
Hydrogen bond donor count :
0
Electric dipole moment :
2.769
XLogP :
2.442
VDW volume :
153.867779
Molecular weight :
146.073165
HOMO-LUMO gap :
9.317000
Herb list :
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
542. Journal:'Folia Pomer. Univ. Technol. Stetin., Agric., Aliment., Pisc., Zootech' Year:'2015' Volume:'320' Page:'95' DOI:'' Title:'GC-MS ANALYSIS OF ESSENTIAL OILS ISOLATED FROM FRUITS OF CHOSEN HOT PEPPER (CAPSICUM ANNUUM L.) CULTIVARS'
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