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Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O5
Molecular Weight 232.2735
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,4-DIETHOXY-3-OXO-ETHYL ESTER PENTANOIC ACID

SMILES

CCOC(=O)CC(=O)C(C)(OCC)OCC

InChI

InChIKey=FYBSJXMIKVNGSK-UHFFFAOYSA-N
InChI=1S/C11H20O5/c1-5-14-10(13)8-9(12)11(4,15-6-2)16-7-3/h5-8H2,1-4H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4,4-DIETHOXY-3-OXO-ETHYL ESTER PENTANOIC ACID
Systematic Name English
NSC-40580
Preferred Name English
VALERIC ACID, 3,4-DIOXO-, ETHYL ESTER, 4-DIETHYL ACETAL
Systematic Name English
ETHYL 4,4-DIETHOXY-3-OXOPENTANOATE
Systematic Name English
VALERIC ACID, 3,4-DIOXO-, ETHYL ESTER, 4-(DIETHYL ACETAL)
Systematic Name English
Code System Code Type Description
CAS
6312-89-6
Created by admin on Tue Apr 01 19:47:51 GMT 2025 , Edited by admin on Tue Apr 01 19:47:51 GMT 2025
PRIMARY
FDA UNII
4Z7FQE2X7Z
Created by admin on Tue Apr 01 19:47:51 GMT 2025 , Edited by admin on Tue Apr 01 19:47:51 GMT 2025
PRIMARY
NSC
40580
Created by admin on Tue Apr 01 19:47:51 GMT 2025 , Edited by admin on Tue Apr 01 19:47:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID80212462
Created by admin on Tue Apr 01 19:47:51 GMT 2025 , Edited by admin on Tue Apr 01 19:47:51 GMT 2025
PRIMARY
PUBCHEM
95874
Created by admin on Tue Apr 01 19:47:51 GMT 2025 , Edited by admin on Tue Apr 01 19:47:51 GMT 2025
PRIMARY
NIH
NCATS
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