Skip Navigation Links
ScientificNameLabel
3,5-dihydroxybenzoic acid
PHCD compound ID : 4031
Chemical Names :
3,5-dihydroxybenzoic acid
Molecular Formula : C7H6O4
Molecular Weight : 154.026609
More Details :
Names & Synonyms: 3,5-dihydroxybenzoic acid , 3,5-bis(oxidanyl)benzoic acid
Smiles: Oc1cc(O)cc(c1)C(=O)O
InChi : InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChi Key : InChIKey=UYEMGAFJOZZIFP-UHFFFAOYSA-N
PubChem ID : 7424
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.517862
Hydrogen bond donor count : 3 Electric dipole moment : 2.853
XLogP : 0.187 VDW volume : 130.986964
Molecular weight : 154.026609 HOMO-LUMO gap : 8.578000
Herb list :
Refrences & Litretures:
  
557.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'8116'      DOI:'10.1021/jf058057y'      Title:'Separation, Characterization, and Quantitation of Phenolic Acids in a Little-Known Blueberry (Vaccinium arctostaphylos L.) Fruit by HPLC-MS'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us