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Details

Stereochemistry ACHIRAL
Molecular Formula C18H16O5
Molecular Weight 312.3166
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-7-METHYL-4H-CHROMEN-4-ONE

SMILES

COC1=C(OC)C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C)C=C3O

InChI

InChIKey=KWEKJLXMURGVRF-UHFFFAOYSA-N
InChI=1S/C18H16O5/c1-10-6-12(19)18-13(20)9-15(23-17(18)7-10)11-4-5-14(21-2)16(8-11)22-3/h4-9,19H,1-3H3

HIDE SMILES / InChI

Molecular Formula C18H16O5
Molecular Weight 312.3166
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:57:11 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:11 GMT 2023
Record UNII
C39X5DW67C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-7-METHYL-4H-CHROMEN-4-ONE
Systematic Name English
NSC-134765
Code English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-7-METHYL-
Systematic Name English
2-(3,4-DIMETHOXYPHENYL)-5-HYDROXY-7-METHYL-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40220725
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
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NSC
134765
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
PRIMARY
PUBCHEM
5382216
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
PRIMARY
CAS
70460-22-9
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
PRIMARY
FDA UNII
C39X5DW67C
Created by admin on Sat Dec 16 12:57:11 GMT 2023 , Edited by admin on Sat Dec 16 12:57:11 GMT 2023
PRIMARY