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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8O5
Molecular Weight 232.1889
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-Hydroxybergapten

SMILES

COC1=C2C=COC2=C(O)C3=C1C=CC(=O)O3

InChI

InChIKey=MVJHUMZXIJPVHV-UHFFFAOYSA-N
InChI=1S/C12H8O5/c1-15-10-6-2-3-8(13)17-12(6)9(14)11-7(10)4-5-16-11/h2-5,14H,1H3

HIDE SMILES / InChI

Molecular Formula C12H8O5
Molecular Weight 232.1889
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 15:44:40 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:40 GMT 2023
Record UNII
KBZ9E8KHG6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-Hydroxybergapten
Common Name English
5-Benzofuranacrylic acid, 6,7-dihydroxy-4-methoxy-, δ-lactone
Common Name English
7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-4-methoxy-
Systematic Name English
9-hydroxy-4-methoxy-7H-furo[3,2-g]chromen-7-one
Systematic Name English
4-METHOXY-9-OXIDANYL-FURO(3,2-G)CHROMEN-7-ONE
Systematic Name English
9-Hydroxy-4-methoxypsoralen
Systematic Name English
Code System Code Type Description
FDA UNII
KBZ9E8KHG6
Created by admin on Sat Dec 16 15:44:40 GMT 2023 , Edited by admin on Sat Dec 16 15:44:40 GMT 2023
PRIMARY
CAS
1603-47-0
Created by admin on Sat Dec 16 15:44:40 GMT 2023 , Edited by admin on Sat Dec 16 15:44:40 GMT 2023
PRIMARY
PUBCHEM
3083726
Created by admin on Sat Dec 16 15:44:40 GMT 2023 , Edited by admin on Sat Dec 16 15:44:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID20166854
Created by admin on Sat Dec 16 15:44:40 GMT 2023 , Edited by admin on Sat Dec 16 15:44:40 GMT 2023
PRIMARY