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Methyl formate
ScientificNameLabel
Methyl formate
PHCD compound ID :
2263
Chemical Names :
Methyl formate
Molecular Formula :
C2H4O2
Molecular Weight :
60.021129
More Details :
Names & Synonyms:
methyl formate , formic acid methyl ester , methyl methanoate
Smiles:
COC=O
InChi :
InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3
InChi Key :
InChIKey=TZIHFWKZFHZASV-UHFFFAOYSA-N
PubChem ID :
7865
Rotatable bond count :
1
Rule of five :
0
Hydrogen bond acceptor count :
2
Ionization potential :
11.126214
Hydrogen bond donor count :
0
Electric dipole moment :
1.660
XLogP :
0.005
VDW volume :
58.092423
Molecular weight :
60.021129
HOMO-LUMO gap :
11.936000
Herb list :
Strawberry - Fragaria vesca - توت فرنگی
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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