U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H8O3
Molecular Weight 188.1794
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-ACETYLCOUMARIN

SMILES

CC(=O)C1=CC2=CC=CC=C2OC1=O

InChI

InChIKey=CSPIFKKOBWYOEX-UHFFFAOYSA-N
InChI=1S/C11H8O3/c1-7(12)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-6H,1H3

HIDE SMILES / InChI

Molecular Formula C11H8O3
Molecular Weight 188.1794
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
PubMed

PubMed

TitleDatePubMed
Binding of coumarins to site I of human serum albumin. Effect of the fatty acids.
1995 Jul 14
Silver(I) dithiocarbamate on modified magnetic cellulose: Synthesis, density functional theory study and application.
2018 Mar 15
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:27:40 GMT 2023
Edited
by admin
on Sat Dec 16 12:27:40 GMT 2023
Record UNII
ID71XJ0D40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-ACETYLCOUMARIN
Systematic Name English
NSC-31678
Code English
COUMARIN, 3-ACETYL-
Systematic Name English
3-ACETYL-2H-1-BENZOPYRAN-2-ONE
Systematic Name English
2H-1-BENZOPYRAN-2-ONE, 3-ACETYL-
Systematic Name English
3-ACETYL-2H-CHROMEN-2-ONE
Systematic Name English
3-ACETYLBENZOPYRAN-2-ONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
223-541-6
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
NSC
31678
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
CHEBI
137384
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
WIKIPEDIA
3-Acetylcoumarin
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID10192627
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
CAS
3949-36-8
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
FDA UNII
ID71XJ0D40
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY
PUBCHEM
77553
Created by admin on Sat Dec 16 12:27:40 GMT 2023 , Edited by admin on Sat Dec 16 12:27:40 GMT 2023
PRIMARY