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Details

Stereochemistry ACHIRAL
Molecular Formula C9H16O3
Molecular Weight 172.2215
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Isobutyl 4-oxovalerate

SMILES

CC(C)COC(=O)CCC(C)=O

InChI

InChIKey=WETOYPNHZMSVFZ-UHFFFAOYSA-N
InChI=1S/C9H16O3/c1-7(2)6-12-9(11)5-4-8(3)10/h7H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H16O3
Molecular Weight 172.2215
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 Sat Dec 16 12:35:28 GMT 2023
Edited
by admin
on Sat Dec 16 12:35:28 GMT 2023
Record UNII
G4EQ2999ZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Isobutyl 4-oxovalerate
Systematic Name English
Levulinic acid, isobutyl ester
Systematic Name English
2-Methylpropyl 4-oxopentanoate
Systematic Name English
NSC-40954
Code English
4-Oxopentanoic acid 2-methylpropyl ester
Systematic Name English
AI3-31915
Code English
Isobutyl levulinate
Systematic Name English
Pentanoic acid, 4-oxo-, 2-methylpropyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
G4EQ2999ZG
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY
CAS
3757-32-2
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY
NSC
40954
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID20191005
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY
ECHA (EC/EINECS)
223-162-6
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY
PUBCHEM
77366
Created by admin on Sat Dec 16 12:35:28 GMT 2023 , Edited by admin on Sat Dec 16 12:35:28 GMT 2023
PRIMARY