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Details

Stereochemistry ACHIRAL
Molecular Formula C15H15NO2
Molecular Weight 241.2851
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,5-Trimethyl-6-(3-pyridylmethyl)-1,4-benzoquinone

SMILES

CC1=C(C)C(=O)C(CC2=CC=CN=C2)=C(C)C1=O

InChI

InChIKey=IPGAFOVEIIWXFR-UHFFFAOYSA-N
InChI=1S/C15H15NO2/c1-9-10(2)15(18)13(11(3)14(9)17)7-12-5-4-6-16-8-12/h4-6,8H,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C15H15NO2
Molecular Weight 241.2851
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 Fri Dec 15 18:38:31 GMT 2023
Edited
by admin
on Fri Dec 15 18:38:31 GMT 2023
Record UNII
8PK64M8UXC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,5-Trimethyl-6-(3-pyridylmethyl)-1,4-benzoquinone
Systematic Name English
CV-6504
Code English
2,3,5-Trimethyl-6-(3-pyridinylmethyl)-2,5-cyclohexadiene-1,4-dione
Systematic Name English
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-6-(3-pyridinylmethyl)-
Systematic Name English
Code System Code Type Description
CAS
117574-40-0
Created by admin on Fri Dec 15 18:38:31 GMT 2023 , Edited by admin on Fri Dec 15 18:38:31 GMT 2023
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EPA CompTox
DTXSID80151827
Created by admin on Fri Dec 15 18:38:31 GMT 2023 , Edited by admin on Fri Dec 15 18:38:31 GMT 2023
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FDA UNII
8PK64M8UXC
Created by admin on Fri Dec 15 18:38:31 GMT 2023 , Edited by admin on Fri Dec 15 18:38:31 GMT 2023
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PUBCHEM
93543
Created by admin on Fri Dec 15 18:38:31 GMT 2023 , Edited by admin on Fri Dec 15 18:38:31 GMT 2023
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