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Details

Stereochemistry RACEMIC
Molecular Formula C15H15NO5
Molecular Weight 289.2833
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SC-0774

SMILES

CC1(C)CCC(=O)C(C(=O)C2=C(C=CC=C2)[N+]([O-])=O)C1=O

InChI

InChIKey=GBCCAVJIOHCZPZ-UHFFFAOYSA-N
InChI=1S/C15H15NO5/c1-15(2)8-7-11(17)12(14(15)19)13(18)9-5-3-4-6-10(9)16(20)21/h3-6,12H,7-8H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C15H15NO5
Molecular Weight 289.2833
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:02:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:02:38 GMT 2023
Record UNII
99S90Q1OLJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SC-0774
Common Name English
1,3-CYCLOHEXANEDIONE, 4,4-DIMETHYL-2-(2-NITROBENZOYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
99S90Q1OLJ
Created by admin on Sat Dec 16 09:02:38 GMT 2023 , Edited by admin on Sat Dec 16 09:02:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID00908870
Created by admin on Sat Dec 16 09:02:38 GMT 2023 , Edited by admin on Sat Dec 16 09:02:38 GMT 2023
PRIMARY
PUBCHEM
175966
Created by admin on Sat Dec 16 09:02:38 GMT 2023 , Edited by admin on Sat Dec 16 09:02:38 GMT 2023
PRIMARY
CAS
104206-61-3
Created by admin on Sat Dec 16 09:02:38 GMT 2023 , Edited by admin on Sat Dec 16 09:02:38 GMT 2023
PRIMARY