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Details

Stereochemistry RACEMIC
Molecular Formula C11H20NO4P
Molecular Weight 261.2546
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(BUTOXY(METHYL)PHOSPHORYL)-1-CYANOPROPYL ACETATE

SMILES

CCCCOP(C)(=O)CCC(OC(C)=O)C#N

InChI

InChIKey=FVJMPOQOCYFLLM-UHFFFAOYSA-N
InChI=1S/C11H20NO4P/c1-4-5-7-15-17(3,14)8-6-11(9-12)16-10(2)13/h11H,4-8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
PHOSPHINIC ACID, P-(3-(ACETYLOXY)-3-CYANOPROPYL)-P-METHYL-, BUTYL ESTER
Preferred Name English
3-(BUTOXY(METHYL)PHOSPHORYL)-1-CYANOPROPYL ACETATE
Systematic Name English
PHOSPHINIC ACID, (3-(ACETYLOXY)-3-CYANOPROPYL)METHYL-, BUTYL ESTER
Systematic Name English
Code System Code Type Description
CAS
167004-78-6
Created by admin on Mon Mar 31 23:11:54 GMT 2025 , Edited by admin on Mon Mar 31 23:11:54 GMT 2025
PRIMARY
FDA UNII
HU81O2K1GB
Created by admin on Mon Mar 31 23:11:54 GMT 2025 , Edited by admin on Mon Mar 31 23:11:54 GMT 2025
PRIMARY
EPA CompTox
DTXSID60889055
Created by admin on Mon Mar 31 23:11:54 GMT 2025 , Edited by admin on Mon Mar 31 23:11:54 GMT 2025
PRIMARY
PUBCHEM
44145865
Created by admin on Mon Mar 31 23:11:54 GMT 2025 , Edited by admin on Mon Mar 31 23:11:54 GMT 2025
PRIMARY
NIH
NCATS
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