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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13NO6
Molecular Weight 291.2561
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6,8-Dimethyl 5,9-dihydroxy-7H-cyclohepta[b]pyridine-6,8-dicarboxylate

SMILES

COC(=O)C1=C(O)C2=CC=CN=C2C(O)=C(C1)C(=O)OC

InChI

InChIKey=WZXKBBAYSCZGDE-UHFFFAOYSA-N
InChI=1S/C14H13NO6/c1-20-13(18)8-6-9(14(19)21-2)12(17)10-7(11(8)16)4-3-5-15-10/h3-5,16-17H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C14H13NO6
Molecular Weight 291.2561
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 19:57:18 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:18 GMT 2023
Record UNII
54YTP9M7TK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6,8-Dimethyl 5,9-dihydroxy-7H-cyclohepta[b]pyridine-6,8-dicarboxylate
Systematic Name English
7H-Cyclohepta[b]pyridine-6,8-dicarboxylic acid, 5,9-dihydroxy-, dimethyl este
Systematic Name English
Code System Code Type Description
FDA UNII
54YTP9M7TK
Created by admin on Sat Dec 16 19:57:18 GMT 2023 , Edited by admin on Sat Dec 16 19:57:18 GMT 2023
PRIMARY
PUBCHEM
139270382
Created by admin on Sat Dec 16 19:57:18 GMT 2023 , Edited by admin on Sat Dec 16 19:57:18 GMT 2023
PRIMARY
CAS
39713-36-5
Created by admin on Sat Dec 16 19:57:18 GMT 2023 , Edited by admin on Sat Dec 16 19:57:18 GMT 2023
PRIMARY
CAS
40313-47-1
Created by admin on Sat Dec 16 19:57:18 GMT 2023 , Edited by admin on Sat Dec 16 19:57:18 GMT 2023
ALTERNATIVE
Related Record Type Details
PARENT -> IMPURITY