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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12O7
Molecular Weight 328.273
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(2H-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one

SMILES

COC1=C(OC2=CC(O)=CC(O)=C2C1=O)C3=CC4=C(OCO4)C=C3

InChI

InChIKey=BWGOSISPGLXOML-UHFFFAOYSA-N
InChI=1S/C17H12O7/c1-21-17-15(20)14-10(19)5-9(18)6-13(14)24-16(17)8-2-3-11-12(4-8)23-7-22-11/h2-6,18-19H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H12O7
Molecular Weight 328.273
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 12:47:02 GMT 2023
Edited
by admin
on Sat Dec 16 12:47:02 GMT 2023
Record UNII
TXF2TN2Y3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(2H-1,3-benzodioxol-5-yl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one
Common Name English
NSC-349011
Code English
4H-1-Benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-3-methoxy-
Systematic Name English
2-(1,3-BENZODIOXOL-5-YL)-5,7-DIHYDROXY-3-METHOXY-4H-CHROMEN-4-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
TXF2TN2Y3Q
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
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CAS
5150-31-2
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY
PUBCHEM
5384605
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
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EPA CompTox
DTXSID60199484
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
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NSC
349011
Created by admin on Sat Dec 16 12:47:02 GMT 2023 , Edited by admin on Sat Dec 16 12:47:02 GMT 2023
PRIMARY