U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12O4
Molecular Weight 160.1678
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methoxyethyl acetoacetate

SMILES

COCCOC(=O)CC(C)=O

InChI

InChIKey=PLHCSZRZWOWUBW-UHFFFAOYSA-N
InChI=1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
ACETOACETIC ACID 2-METHOXYETHYL ESTER
Preferred Name English
2-Methoxyethyl acetoacetate
Systematic Name English
2-METHOXYETHYL 3-OXOBUTANOATE
Systematic Name English
BUTANOIC ACID, 3-OXO-, 2-METHOXYETHYL ESTER
Common Name English
Code System Code Type Description
CAS
22502-03-0
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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FDA UNII
FN4CYZ9PV8
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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EPA CompTox
DTXSID20177026
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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ECHA (EC/EINECS)
245-043-8
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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SMS_ID
300000052930
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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PUBCHEM
89734
Created by admin on Wed Apr 02 19:34:01 GMT 2025 , Edited by admin on Wed Apr 02 19:34:01 GMT 2025
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