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Details

Stereochemistry RACEMIC
Molecular Formula C10H18O3
Molecular Weight 186.2481
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ETHYL 3-METHYL-4-OXOHEPTANOATE

SMILES

CCCC(=O)C(C)CC(=O)OCC

InChI

InChIKey=DXRJGHNIYCEKBM-UHFFFAOYSA-N
InChI=1S/C10H18O3/c1-4-6-9(11)8(3)7-10(12)13-5-2/h8H,4-7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C10H18O3
Molecular Weight 186.2481
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 18:26:49 GMT 2023
Edited
by admin
on Sat Dec 16 18:26:49 GMT 2023
Record UNII
359ZQ88J6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL 3-METHYL-4-OXOHEPTANOATE
Systematic Name English
HEPTANOIC ACID, 3-METHYL-4-OXO-, ETHYL ESTER
Systematic Name English
3-METHYL-4-OXO-HEPTANOIC ACID ETHYL ESTER
Common Name English
Code System Code Type Description
FDA UNII
359ZQ88J6B
Created by admin on Sat Dec 16 18:26:49 GMT 2023 , Edited by admin on Sat Dec 16 18:26:49 GMT 2023
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CAS
67893-05-4
Created by admin on Sat Dec 16 18:26:49 GMT 2023 , Edited by admin on Sat Dec 16 18:26:49 GMT 2023
PRIMARY
PUBCHEM
106945
Created by admin on Sat Dec 16 18:26:49 GMT 2023 , Edited by admin on Sat Dec 16 18:26:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID40887019
Created by admin on Sat Dec 16 18:26:49 GMT 2023 , Edited by admin on Sat Dec 16 18:26:49 GMT 2023
PRIMARY