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Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O4
Molecular Weight 216.2741
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ETHYL-2-HEXYLMALONIC ACID

SMILES

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

InChI

InChIKey=ZFUULEVFTWFFKQ-UHFFFAOYSA-N
InChI=1S/C11H20O4/c1-3-5-6-7-8-11(4-2,9(12)13)10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)

HIDE SMILES / InChI

Molecular Formula C11H20O4
Molecular Weight 216.2741
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 Tue Apr 01 20:17:44 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:44 GMT 2025
Record UNII
7HFA0BPS9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ETHYL-2-HEXYLMALONIC ACID
Systematic Name English
NSC-16408
Preferred Name English
PROPANEDIOIC ACID, ETHYLHEXYL-
Systematic Name English
3,3-NONANEDICARBOXYLIC ACID
Systematic Name English
2-ETHYL-2-HEXYLPROPANEDIOIC ACID
Systematic Name English
MALONIC ACID, ETHYLHEXYL-
Systematic Name English
PROPANEDIOIC ACID, 2-ETHYL-2-HEXYL-
Systematic Name English
Code System Code Type Description
CAS
4473-04-5
Created by admin on Tue Apr 01 20:17:44 GMT 2025 , Edited by admin on Tue Apr 01 20:17:44 GMT 2025
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FDA UNII
7HFA0BPS9E
Created by admin on Tue Apr 01 20:17:44 GMT 2025 , Edited by admin on Tue Apr 01 20:17:44 GMT 2025
PRIMARY
PUBCHEM
226200
Created by admin on Tue Apr 01 20:17:44 GMT 2025 , Edited by admin on Tue Apr 01 20:17:44 GMT 2025
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NSC
16408
Created by admin on Tue Apr 01 20:17:44 GMT 2025 , Edited by admin on Tue Apr 01 20:17:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID10196286
Created by admin on Tue Apr 01 20:17:44 GMT 2025 , Edited by admin on Tue Apr 01 20:17:44 GMT 2025
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