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ScientificNameLabel
5-(2-hydroxyphenoxymethyl)furfural
PHCD compound ID : 4004
Chemical Names :
5-(2-hydroxyphenoxymethyl)furfural
Molecular Formula : C12H10O4
Molecular Weight : 218.057909
More Details :
Names & Synonyms: 5-[(2-hydroxyphenoxy)methyl]furan-2-carbaldehyde , 5-[(2-hydroxyphenoxy)methyl]-2-furancarboxaldehyde , 5-[(2-oxidanylphenoxy)methyl]furan-2-carbaldehyde , 5-[(2-hydroxyphenoxy)methyl]furfural
Smiles: O=Cc1ccc(o1)COc1ccccc1O
InChi : InChI=1S/C12H10O4/c13-7-9-5-6-10(16-9)8-15-12-4-2-1-3-11(12)14/h1-7,14H,8H2
InChi Key : InChIKey=YGLWXHTXSWRORB-UHFFFAOYSA-N
PubChem ID : 636663
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.163750
Hydrogen bond donor count : 1 Electric dipole moment : 3.280
XLogP : 1.091 VDW volume : 188.937511
Molecular weight : 218.057909 HOMO-LUMO gap : 8.345000
Herb list :
Refrences & Litretures:
  
547.      Journal:'J. Nat. Prod. Plant Resour'      Year:'2011'      Volume:'1'      Page:'101'      DOI:''      Title:'Cassia fistula Linn. (Amulthus)- An Important Medicinal Plant: A Review of Its Traditional Uses, Phytochemistry and Pharmacological Properties'
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