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Details

Stereochemistry RACEMIC
Molecular Formula C9H16O4
Molecular Weight 188.2209
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,4-TRIMETHYLADIPIC ACID

SMILES

CC(CC(C)(C)CC(O)=O)C(O)=O

InChI

InChIKey=RLEQVGMLDNITBW-UHFFFAOYSA-N
InChI=1S/C9H16O4/c1-6(8(12)13)4-9(2,3)5-7(10)11/h6H,4-5H2,1-3H3,(H,10,11)(H,12,13)

HIDE SMILES / InChI

Molecular Formula C9H16O4
Molecular Weight 188.2209
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 15:38:34 GMT 2023
Edited
by admin
on Sat Dec 16 15:38:34 GMT 2023
Record UNII
5Y446287YW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,4-TRIMETHYLADIPIC ACID
Systematic Name English
2,4,4-TRIMETHYLADIPIC ACID, (±)-
Systematic Name English
HEXANEDIOIC ACID, 2,4,4-TRIMETHYL-
Systematic Name English
2,4,4-TRIMETHYLHEXANEDIOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
5Y446287YW
Created by admin on Sat Dec 16 15:38:34 GMT 2023 , Edited by admin on Sat Dec 16 15:38:34 GMT 2023
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CAS
3937-59-5
Created by admin on Sat Dec 16 15:38:34 GMT 2023 , Edited by admin on Sat Dec 16 15:38:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID10883922
Created by admin on Sat Dec 16 15:38:34 GMT 2023 , Edited by admin on Sat Dec 16 15:38:34 GMT 2023
PRIMARY
PUBCHEM
107195
Created by admin on Sat Dec 16 15:38:34 GMT 2023 , Edited by admin on Sat Dec 16 15:38:34 GMT 2023
PRIMARY