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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H14O3
Molecular Weight 194.2271
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-TERT-BUTYL-5-METHOXY-1,2-BENZOQUINONE

SMILES

COC1=CC(=O)C(=O)C(=C1)C(C)(C)C

InChI

InChIKey=KRDZTMDQDYDESS-UHFFFAOYSA-N
InChI=1S/C11H14O3/c1-11(2,3)8-5-7(14-4)6-9(12)10(8)13/h5-6H,1-4H3

HIDE SMILES / InChI

Molecular Formula C11H14O3
Molecular Weight 194.2271
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 08:57:28 UTC 2023
Edited
by admin
on Sat Dec 16 08:57:28 UTC 2023
Record UNII
6TS158PEZ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-TERT-BUTYL-5-METHOXY-1,2-BENZOQUINONE
Systematic Name English
3,5-CYCLOHEXADIENE-1,2-DIONE, 3-(1,1-DIMETHYLETHYL)-5-METHOXY-
Systematic Name English
O-BENZOQUINONE, 3-TERT-BUTYL-5-METHOXY-
Systematic Name English
NSC-607534
Code English
5-METHOXY-3-TERT-BUTYL-1,2-BENZOQUINONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40183624
Created by admin on Sat Dec 16 08:57:28 UTC 2023 , Edited by admin on Sat Dec 16 08:57:28 UTC 2023
PRIMARY
CAS
2940-63-8
Created by admin on Sat Dec 16 08:57:28 UTC 2023 , Edited by admin on Sat Dec 16 08:57:28 UTC 2023
PRIMARY
NSC
607534
Created by admin on Sat Dec 16 08:57:28 UTC 2023 , Edited by admin on Sat Dec 16 08:57:28 UTC 2023
PRIMARY
FDA UNII
6TS158PEZ7
Created by admin on Sat Dec 16 08:57:28 UTC 2023 , Edited by admin on Sat Dec 16 08:57:28 UTC 2023
PRIMARY
PUBCHEM
134523
Created by admin on Sat Dec 16 08:57:28 UTC 2023 , Edited by admin on Sat Dec 16 08:57:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE