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Details

Stereochemistry ACHIRAL
Molecular Formula C12H7BrO4
Molecular Weight 295.086
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Bromo-4-oxo-6-phenyl-4H-pyran-2-carboxylic acid

SMILES

OC(=O)C1=C(Br)C(=O)C=C(O1)C2=CC=CC=C2

InChI

InChIKey=XJCMXUBEABHMOI-UHFFFAOYSA-N
InChI=1S/C12H7BrO4/c13-10-8(14)6-9(17-11(10)12(15)16)7-4-2-1-3-5-7/h1-6H,(H,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4H-Pyran-2-carboxylic acid, 3-bromo-4-oxo-6-phenyl-
Preferred Name English
3-Bromo-4-oxo-6-phenyl-4H-pyran-2-carboxylic acid
Systematic Name English
Code System Code Type Description
PUBCHEM
15578375
Created by admin on Mon Mar 31 17:46:47 GMT 2025 , Edited by admin on Mon Mar 31 17:46:47 GMT 2025
PRIMARY
FDA UNII
9AJD2U38G2
Created by admin on Mon Mar 31 17:46:47 GMT 2025 , Edited by admin on Mon Mar 31 17:46:47 GMT 2025
PRIMARY
CAS
76781-82-3
Created by admin on Mon Mar 31 17:46:47 GMT 2025 , Edited by admin on Mon Mar 31 17:46:47 GMT 2025
PRIMARY
NIH
NCATS
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