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Ethyl 3,4-dihydroxybenzoate
PHCD compound ID : 4154
Chemical Names :
Ethyl 3,4-dihydroxybenzoate
Molecular Formula : C9H10O4
Molecular Weight : 182.057909
More Details :
Names & Synonyms: ethyl 3,4-dihydroxybenzoate , 3,4-dihydroxybenzoic acid ethyl ester , ethyl 3,4-bis(oxidanyl)benzoate
Smiles: CCOC(=O)c1ccc(c(c1)O)O
InChi : InChI=1S/C9H10O4/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5,10-11H,2H2,1H3
InChi Key : InChIKey=KBPUBCVJHFXPOC-UHFFFAOYSA-N
PubChem ID : 77547
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.218585
Hydrogen bond donor count : 2 Electric dipole moment : 4.577
XLogP : 1.36 VDW volume : 165.578934
Molecular weight : 182.057909 HOMO-LUMO gap : 8.549000
Herb list :
Refrences & Litretures:
  
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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