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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18O3
Molecular Weight 222.2802
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-butoxyphenylacetate

SMILES

CCCCOC1=CC=C(CC(=O)OC)C=C1

InChI

InChIKey=IEPLOMKGNGXJAW-UHFFFAOYSA-N
InChI=1S/C13H18O3/c1-3-4-9-16-12-7-5-11(6-8-12)10-13(14)15-2/h5-8H,3-4,9-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C13H18O3
Molecular Weight 222.2802
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 13:08:41 UTC 2023
Edited
by admin
on Sat Dec 16 13:08:41 UTC 2023
Record UNII
3QX5UBX3NN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-butoxyphenylacetate
Systematic Name English
Bufexamac impurity B [EP IMPURITY]
Common Name English
Methyl 4-butoxybenzeneacetate
Systematic Name English
Benzeneacetic acid, 4-butoxy-, methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20183304
Created by admin on Sat Dec 16 13:08:41 UTC 2023 , Edited by admin on Sat Dec 16 13:08:41 UTC 2023
PRIMARY
ECHA (EC/EINECS)
249-392-7
Created by admin on Sat Dec 16 13:08:41 UTC 2023 , Edited by admin on Sat Dec 16 13:08:41 UTC 2023
PRIMARY
CAS
29056-06-2
Created by admin on Sat Dec 16 13:08:41 UTC 2023 , Edited by admin on Sat Dec 16 13:08:41 UTC 2023
PRIMARY
FDA UNII
3QX5UBX3NN
Created by admin on Sat Dec 16 13:08:41 UTC 2023 , Edited by admin on Sat Dec 16 13:08:41 UTC 2023
PRIMARY
PUBCHEM
120122
Created by admin on Sat Dec 16 13:08:41 UTC 2023 , Edited by admin on Sat Dec 16 13:08:41 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY