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Details

Stereochemistry ACHIRAL
Molecular Formula C14H18O3
Molecular Weight 234.2909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(3-Oxobutyl)phenyl butyrate

SMILES

CCCC(=O)OC1=CC=C(CCC(C)=O)C=C1

InChI

InChIKey=HFHMAFJEDGPVNB-UHFFFAOYSA-N
InChI=1S/C14H18O3/c1-3-4-14(16)17-13-9-7-12(8-10-13)6-5-11(2)15/h7-10H,3-6H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(3-Oxobutyl)phenyl butyrate
Systematic Name English
NSC-39440
Code English
[4-(3-Oxobutyl)phenyl] butanoate
Systematic Name English
Butyric acid, ester with 4-(p-hydroxyphenyl)-2-butanone
Common Name English
Butanoic acid, 4-(3-oxobutyl)phenyl ester
Systematic Name English
4-(4-(Butyryloxy)phenyl)-2-butanone
Systematic Name English
Code System Code Type Description
CAS
72727-70-9
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
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PUBCHEM
95848
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
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NSC
39440
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
PRIMARY
FDA UNII
X2E3XS3QPN
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
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ECHA (EC/EINECS)
276-803-7
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
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EPA CompTox
DTXSID3072587
Created by admin on Sat Dec 16 12:32:02 GMT 2023 , Edited by admin on Sat Dec 16 12:32:02 GMT 2023
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