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Details

Stereochemistry RACEMIC
Molecular Formula C5H7ClO3
Molecular Weight 150.56
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 2-CHLOROACETOACETATE

SMILES

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

InChI

InChIKey=GYQRIAVRKLRQKP-UHFFFAOYSA-N
InChI=1S/C5H7ClO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H7ClO3
Molecular Weight 150.56
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 Tue Apr 01 16:50:57 GMT 2025
Edited
by admin
on Tue Apr 01 16:50:57 GMT 2025
Record UNII
09T3687932
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLOROACETOACETIC ACID METHYL ESTER
Preferred Name English
METHYL 2-CHLOROACETOACETATE
Systematic Name English
METHYL 2-CHLORO-3-OXOBUTYRATE
Systematic Name English
METHYL .ALPHA.-CHLOROACETOACETATE
Systematic Name English
BUTANOIC ACID, 2-CHLORO-3-OXO-, METHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
115584-91-3
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
ALTERNATIVE
CAS
4755-81-1
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
PRIMARY
EPA CompTox
DTXSID10884111
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
PRIMARY
CAS
357164-36-4
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
ALTERNATIVE
FDA UNII
09T3687932
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
PRIMARY
CAS
1379396-94-7
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
ALTERNATIVE
PUBCHEM
107332
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
PRIMARY
ECHA (EC/EINECS)
225-286-6
Created by admin on Tue Apr 01 16:50:57 GMT 2025 , Edited by admin on Tue Apr 01 16:50:57 GMT 2025
PRIMARY