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1,4-Butanedioc acid dimethyl ester
PHCD compound ID : 5416
Chemical Names :
1,4-Butanedioc acid dimethyl ester
Molecular Formula : C6H10O4
Molecular Weight : 146.057909
More Details :
Names & Synonyms: dimethyl butanedioate , butanedioic acid dimethyl ester , succinic acid dimethyl ester
Smiles: COC(=O)CCC(=O)OC
InChi : InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3
InChi Key : InChIKey=MUXOBHXGJLMRAB-UHFFFAOYSA-N
PubChem ID : 7820
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 11.024719
Hydrogen bond donor count : 0 Electric dipole moment : 0.067
XLogP : -0.068 VDW volume : 142.220356
Molecular weight : 146.057909 HOMO-LUMO gap : 11.900000
Herb list :
Refrences & Litretures:
  
895.      Journal:'Pharmaceutical Biology'      Year:'2003'      Volume:'41'      Page:'399'      DOI:'10.1076/phbi.41.6.399.17826'      Title:'Volatile Compounds in Crude Salvadora persica Extracts'
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