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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 Isopropyl acetoacetate

SMILES

CC(C)OC(=O)CC(C)=O

InChI

InChIKey=GVIIRWAJDFKJMJ-UHFFFAOYSA-N
InChI=1S/C7H12O3/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3

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

PubMed

PubMed

TitleDatePubMed
Synthesis and in vitro microbiological evaluation of novel 4-aryl-5-isopropoxycarbonyl-6-methyl-3,4-dihydropyrimidinones.
2010-01
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:19:32 GMT 2025
Edited
by admin
on Mon Mar 31 21:19:32 GMT 2025
Record UNII
38GTB2C6XC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isopropyl acetoacetate
MI  
Systematic Name English
ACETOACETIC ACID ISOPROPYL ESTE
Preferred Name English
ISOPROPYL ACETOACETATE [MI]
Common Name English
ISOPROPYL 3-OXOBUTANOATE
Systematic Name English
3-OXOBUTANOIC ACID 1-METHYLETHYL ESTER
Systematic Name English
Code System Code Type Description
CAS
542-08-5
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY
FDA UNII
38GTB2C6XC
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY
MERCK INDEX
m6522
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID7060253
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY
PUBCHEM
68329
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-798-4
Created by admin on Mon Mar 31 21:19:32 GMT 2025 , Edited by admin on Mon Mar 31 21:19:32 GMT 2025
PRIMARY