Skip Navigation Links
ScientificNameLabel
4-Hydroxy-2-methoxycinnamaldehyde
PHCD compound ID : 4586
Chemical Names :
4-Hydroxy-2-methoxycinnamaldehyde
Molecular Formula : C10H10O3
Molecular Weight : 178.062994
More Details :
Names & Synonyms: (E)-3-(4-hydroxy-2-methoxy-phenyl)prop-2-enal , (E)-3-(4-hydroxy-2-methoxyphenyl)-2-propenal , (E)-3-(4-hydroxy-2-methoxyphenyl)prop-2-enal , (E)-3-(2-methoxy-4-oxidanyl-phenyl)prop-2-enal , (E)-3-(4-hydroxy-2-methoxy-phenyl)acrolein
Smiles: O=C/C=C/c1ccc(cc1OC)O
InChi : InChI=1S/C10H10O3/c1-13-10-7-9(12)5-4-8(10)3-2-6-11/h2-7,12H,1H3/b3-2+
InChi Key : InChIKey=MRCGVXARHKOYKU-NSCUHMNNSA-N
PubChem ID : 5374604
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.984569
Hydrogen bond donor count : 1 Electric dipole moment : 6.886
XLogP : 0.861 VDW volume : 171.448233
Molecular weight : 178.062994 HOMO-LUMO gap : 8.233000
Herb list :
Refrences & Litretures:
  
707.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2015'      Volume:'18'      Page:'967'      DOI:'10.1080/0972060X.2014.884779'      Title:'Chemical Composition, Antimicrobial andAntioxidant Activities of Eugenia caryophyllata Essential Oil'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us