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Details

Stereochemistry ACHIRAL
Molecular Formula C15H16O5
Molecular Weight 276.2845
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(2-Carboxyphenyl)-3,4-dihydro-2,2-dimethyl-2H-pyran-5-carboxylic acid

SMILES

CC1(C)CCC(C(O)=O)=C(O1)C2=CC=CC=C2C(O)=O

InChI

InChIKey=VJWXFEYAVDODMD-UHFFFAOYSA-N
InChI=1S/C15H16O5/c1-15(2)8-7-11(14(18)19)12(20-15)9-5-3-4-6-10(9)13(16)17/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
6-(2-Carboxyphenyl)-3,4-dihydro-2,2-dimethyl-2H-pyran-5-carboxylic acid
Systematic Name English
2H-Pyran-5-carboxylic acid, 6-(2-carboxyphenyl)-3,4-dihydro-2,2-dimethyl-
Systematic Name English
ARQ 501 METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
129858349
Created by admin on Sat Dec 16 18:15:19 GMT 2023 , Edited by admin on Sat Dec 16 18:15:19 GMT 2023
PRIMARY
CAS
1027802-06-7
Created by admin on Sat Dec 16 18:15:19 GMT 2023 , Edited by admin on Sat Dec 16 18:15:19 GMT 2023
PRIMARY
FDA UNII
Q52LC8LNT3
Created by admin on Sat Dec 16 18:15:19 GMT 2023 , Edited by admin on Sat Dec 16 18:15:19 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of LAPACHONE
NIH
NCATS
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