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Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O4
Molecular Weight 234.2479
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-HYDROXY-3,4-DIMETHOXY-6-(3-METHYL-3-BUTEN-1-YN-1-YL)-2,4-CYCLOHEXADIEN-1-ONE

SMILES

COC1=CC(=O)C(O)(C=C1OC)C#CC(C)=C

InChI

InChIKey=PXYSBUOEKAZHSR-UHFFFAOYSA-N
InChI=1S/C13H14O4/c1-9(2)5-6-13(15)8-11(17-4)10(16-3)7-12(13)14/h7-8,15H,1H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C13H14O4
Molecular Weight 234.2479
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 12:43:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:43:21 GMT 2023
Record UNII
RPE7EMD0CQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-HYDROXY-3,4-DIMETHOXY-6-(3-METHYL-3-BUTEN-1-YN-1-YL)-2,4-CYCLOHEXADIEN-1-ONE
Systematic Name English
2,4-CYCLOHEXADIEN-1-ONE, 6-HYDROXY-3,4-DIMETHOXY-6-(3-METHYL-3-BUTEN-1-YNYL)-
Systematic Name English
NSC-377716
Code English
2,4-CYCLOHEXADIEN-1-ONE, 6-HYDROXY-3,4-DIMETHOXY-6-(3-METHYL-3-BUTEN-1-YN-1-YL)-
Systematic Name English
Code System Code Type Description
CAS
82511-11-3
Created by admin on Sat Dec 16 12:43:21 GMT 2023 , Edited by admin on Sat Dec 16 12:43:21 GMT 2023
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NSC
377716
Created by admin on Sat Dec 16 12:43:21 GMT 2023 , Edited by admin on Sat Dec 16 12:43:21 GMT 2023
PRIMARY
FDA UNII
RPE7EMD0CQ
Created by admin on Sat Dec 16 12:43:21 GMT 2023 , Edited by admin on Sat Dec 16 12:43:21 GMT 2023
PRIMARY
PUBCHEM
342169
Created by admin on Sat Dec 16 12:43:21 GMT 2023 , Edited by admin on Sat Dec 16 12:43:21 GMT 2023
PRIMARY