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Compound: 5546
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References: 992
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Hydrazide of 2-furancarboxylic acid
ScientificNameLabel
Hydrazide of 2-furancarboxylic acid
PHCD compound ID :
5401
Chemical Names :
Hydrazide of 2-furancarboxylic acid
Molecular Formula :
C5H6N2O2
Molecular Weight :
126.042927
More Details :
Names & Synonyms:
furan-2-carbohydrazide , 2-furancarbohydrazide , 2-furohydrazide
Smiles:
NNC(=O)c1ccco1
InChi :
InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChi Key :
InChIKey=SKTSVWWOAIAIKI-UHFFFAOYSA-N
PubChem ID :
18731
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
9.803947
Hydrogen bond donor count :
2
Electric dipole moment :
5.251
XLogP :
-0.871
VDW volume :
103.444521
Molecular weight :
126.042927
HOMO-LUMO gap :
9.446000
Herb list :
Daneweed, Davewort - Sambucus ebulus - پلم، شوند، آقطی
Refrences & Litretures:
890. Journal:'Chemistry of Natural Compounds' Year:'2011' Volume:'47' Page:'126' DOI:'10.1007/s10600-011-9854-z' Title:'GC-MS analysis of chemical composition of Sambucus ebulus leaves'
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