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Details

Stereochemistry ACHIRAL
Molecular Formula C17H14O5
Molecular Weight 298.2901
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(1,3-BENZODIOXOL-5-YL)-1-(2-HYDROXY-4-METHOXYPHENYL)-2-PROPEN-1-ONE

SMILES

COC1=CC(O)=C(C=C1)C(=O)\C=C\C2=CC=C3OCOC3=C2

InChI

InChIKey=VZZSETBKCYRDTI-QHHAFSJGSA-N
InChI=1S/C17H14O5/c1-20-12-4-5-13(15(19)9-12)14(18)6-2-11-3-7-16-17(8-11)22-10-21-16/h2-9,19H,10H2,1H3/b6-2+

HIDE SMILES / InChI

Molecular Formula C17H14O5
Molecular Weight 298.2901
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:57:45 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:45 GMT 2023
Record UNII
KA9C969TNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1,3-BENZODIOXOL-5-YL)-1-(2-HYDROXY-4-METHOXYPHENYL)-2-PROPEN-1-ONE
Systematic Name English
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-
Systematic Name English
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-2-propen-1-one
Systematic Name English
NSC-209943
Code English
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(2-hydroxy-4-methoxyphenyl)-, (2E)-
Systematic Name English
Code System Code Type Description
PUBCHEM
5908537
Created by admin on Sat Dec 16 12:57:45 GMT 2023 , Edited by admin on Sat Dec 16 12:57:45 GMT 2023
PRIMARY
FDA UNII
KA9C969TNJ
Created by admin on Sat Dec 16 12:57:45 GMT 2023 , Edited by admin on Sat Dec 16 12:57:45 GMT 2023
PRIMARY
CAS
114021-54-4
Created by admin on Sat Dec 16 12:57:45 GMT 2023 , Edited by admin on Sat Dec 16 12:57:45 GMT 2023
PRIMARY
CAS
36685-65-1
Created by admin on Sat Dec 16 12:57:45 GMT 2023 , Edited by admin on Sat Dec 16 12:57:45 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NSC
209943
Created by admin on Sat Dec 16 12:57:45 GMT 2023 , Edited by admin on Sat Dec 16 12:57:45 GMT 2023
PRIMARY