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Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O3
Molecular Weight 144.1684
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 2,2-dimethylacetoacetate

SMILES

COC(=O)C(C)(C)C(C)=O

InChI

InChIKey=LVSDLZIEHYYLTC-UHFFFAOYSA-N
InChI=1S/C7H12O3/c1-5(8)7(2,3)6(9)10-4/h1-4H3

HIDE SMILES / InChI

Molecular Formula C7H12O3
Molecular Weight 144.1684
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 19:09:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:09:49 GMT 2025
Record UNII
Q75TYA8L62
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 2,2-dimethylacetoacetate
Systematic Name English
NSC-93904
Preferred Name English
Butanoic acid, 2,2-dimethyl-3-oxo-, methyl ester
Systematic Name English
Methyl 2,2-dimethyl-3-oxobutyrate
Systematic Name English
Methyl 2,2-dimethyl-3-oxobutanoate
Systematic Name English
Code System Code Type Description
NSC
93904
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
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CAS
38923-57-8
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID40192211
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
254-189-1
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
PRIMARY
PUBCHEM
96925
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
PRIMARY
FDA UNII
Q75TYA8L62
Created by admin on Tue Apr 01 19:09:49 GMT 2025 , Edited by admin on Tue Apr 01 19:09:49 GMT 2025
PRIMARY