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

Details

Stereochemistry RACEMIC
Molecular Formula C8H14O3
Molecular Weight 158.195
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEC-BUTYL ACETOACETATE

SMILES

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

InChI

InChIKey=QSTNBMLCULGCQE-UHFFFAOYSA-N
InChI=1S/C8H14O3/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C8H14O3
Molecular Weight 158.195
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 Sat Dec 16 08:41:28 GMT 2023
Edited
by admin
on Sat Dec 16 08:41:28 GMT 2023
Record UNII
UL7357J39W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEC-BUTYL ACETOACETATE
Systematic Name English
BUTANOIC ACID, 3-OXO-, 1-METHYLPROPYL ESTER
Systematic Name English
Code System Code Type Description
CAS
13562-76-0
Created by admin on Sat Dec 16 08:41:28 GMT 2023 , Edited by admin on Sat Dec 16 08:41:28 GMT 2023
PRIMARY
PUBCHEM
139498
Created by admin on Sat Dec 16 08:41:28 GMT 2023 , Edited by admin on Sat Dec 16 08:41:28 GMT 2023
PRIMARY
EPA CompTox
DTXSID30875763
Created by admin on Sat Dec 16 08:41:28 GMT 2023 , Edited by admin on Sat Dec 16 08:41:28 GMT 2023
PRIMARY
FDA UNII
UL7357J39W
Created by admin on Sat Dec 16 08:41:28 GMT 2023 , Edited by admin on Sat Dec 16 08:41:28 GMT 2023
PRIMARY