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Cyclohexane propanoic acid,2-oxo,methyl ester
PHCD compound ID : 2479
Chemical Names :
Cyclohexane propanoic acid,2-oxo,methyl ester
Molecular Formula : C10H16O3
Molecular Weight : 184.109944
More Details :
Names & Synonyms: methyl 3-(2-oxocyclohexyl)propanoate , 3-(2-oxocyclohexyl)propanoic acid methyl ester , methyl 3-(2-oxidanylidenecyclohexyl)propanoate , 3-(2-ketocyclohexyl)propionic acid methyl ester
Smiles: COC(=O)CC[C@@H]1CCCCC1=O
InChi : InChI=1S/C10H16O3/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h8H,2-7H2,1H3/t8-/m0/s1
InChi Key : InChIKey=NYUXNQYPEPSSAT-QMMMGPOBSA-N
PubChem ID : 112036
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.948357
Hydrogen bond donor count : 0 Electric dipole moment : 2.336
XLogP : 1.009 VDW volume : 190.257609
Molecular weight : 184.109944 HOMO-LUMO gap : 10.762000
Herb list :
Refrences & Litretures:
  
286.      Journal:'Int J Pharm Pharm Sci'      Year:'2013'      Volume:'5'      Page:'617'      DOI:''      Title:'GC-MS ANALYSIS OF LAWSONIA INERMIS SEED OIL'
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