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Details

Stereochemistry ACHIRAL
Molecular Formula C12H10O5
Molecular Weight 234.2048
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ACETYL-6,8-DIHYDROXY-5-METHYLISOCOUMARIN

SMILES

CC(=O)C1=COC(=O)C2=C1C(C)=C(O)C=C2O

InChI

InChIKey=SPSQJQKIAFEDOF-UHFFFAOYSA-N
InChI=1S/C12H10O5/c1-5-8(14)3-9(15)11-10(5)7(6(2)13)4-17-12(11)16/h3-4,14-15H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-ACETYL-6,8-DIHYDROXY-5-METHYLISOCOUMARIN
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 4-ACETYL-6,8-DIHYDROXY-5-METHYL-
Preferred Name English
ISOCOUMARIN, 4-ACETYL-6,8-DIHYDROXY-5-METHYL-
Systematic Name English
Code System Code Type Description
CAS
4770-47-2
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY
FDA UNII
K386H686MO
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY
PUBCHEM
90885568
Created by admin on Mon Mar 31 23:16:41 GMT 2025 , Edited by admin on Mon Mar 31 23:16:41 GMT 2025
PRIMARY
NIH
NCATS
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