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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19FO4
Molecular Weight 294.3181
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethylpropanoyl 5-(4-fluorophenyl)-5-oxo-pentanoate

SMILES

CC(C)(C)C(=O)OC(=O)CCCC(=O)C1=CC=C(F)C=C1

InChI

InChIKey=ATBBBXPJDZIEQR-UHFFFAOYSA-N
InChI=1S/C16H19FO4/c1-16(2,3)15(20)21-14(19)6-4-5-13(18)11-7-9-12(17)10-8-11/h7-10H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C16H19FO4
Molecular Weight 294.3181
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 19:56:50 GMT 2023
Edited
by admin
on Sat Dec 16 19:56:50 GMT 2023
Record UNII
M4CH8J9VU8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Dimethylpropanoyl 5-(4-fluorophenyl)-5-oxo-pentanoate
Systematic Name English
Benzenepentanoic acid, 4-fluoro-δ-oxo-, anhydride with 2,2-dimethylpropanoic acid
Systematic Name English
Code System Code Type Description
CAS
1056188-47-6
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
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PUBCHEM
59951044
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
PRIMARY
FDA UNII
M4CH8J9VU8
Created by admin on Sat Dec 16 19:56:50 GMT 2023 , Edited by admin on Sat Dec 16 19:56:50 GMT 2023
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