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Details

Stereochemistry RACEMIC
Molecular Formula C13H16O4
Molecular Weight 236.2637
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7A-METHYL-5,6,7,7A-TETRAHYDROINDAN-1,5-DIONE-4-(3-PROPIONIC ACID)

SMILES

CC12CCC(=O)C(CCC(O)=O)=C1CCC2=O

InChI

InChIKey=MQIGRVMBIPYVRE-UHFFFAOYSA-N
InChI=1S/C13H16O4/c1-13-7-6-10(14)8(2-5-12(16)17)9(13)3-4-11(13)15/h2-7H2,1H3,(H,16,17)

HIDE SMILES / InChI

Molecular Formula C13H16O4
Molecular Weight 236.2637
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 10:40:34 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:34 GMT 2023
Record UNII
E78502AJNG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7A-METHYL-5,6,7,7A-TETRAHYDROINDAN-1,5-DIONE-4-(3-PROPIONIC ACID)
Common Name English
4-INDANPROPIONIC ACID, 5,6,7,7A-TETRAHYDRO-7A-METHYL-1,5-DIOXO-
Systematic Name English
7A-METHYL-5,6,7,7A-TETRAHYDRO-1,5-DIOXO-4-INDANPROPIONIC ACID
Systematic Name English
1H-INDENE-4-PROPANOIC ACID, 2,3,5,6,7,7A-HEXAHYDRO-7A-METHYL-1,5-DIOXO-
Systematic Name English
Code System Code Type Description
FDA UNII
E78502AJNG
Created by admin on Sat Dec 16 10:40:34 GMT 2023 , Edited by admin on Sat Dec 16 10:40:34 GMT 2023
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CAS
25110-82-1
Created by admin on Sat Dec 16 10:40:34 GMT 2023 , Edited by admin on Sat Dec 16 10:40:34 GMT 2023
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EPA CompTox
DTXSID50947976
Created by admin on Sat Dec 16 10:40:34 GMT 2023 , Edited by admin on Sat Dec 16 10:40:34 GMT 2023
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PUBCHEM
20833766
Created by admin on Sat Dec 16 10:40:34 GMT 2023 , Edited by admin on Sat Dec 16 10:40:34 GMT 2023
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