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Details

Stereochemistry ACHIRAL
Molecular Formula C15H18O3
Molecular Weight 246.3016
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 4-(cyclopropylcarbonyl)-?,?-dimethylbenzeneacetate

SMILES

COC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)C2CC2

InChI

InChIKey=PXFHOZWONRQTBM-UHFFFAOYSA-N
InChI=1S/C15H18O3/c1-15(2,14(17)18-3)12-8-6-11(7-9-12)13(16)10-4-5-10/h6-10H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C15H18O3
Molecular Weight 246.3016
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 Wed Apr 02 16:29:57 GMT 2025
Edited
by admin
on Wed Apr 02 16:29:57 GMT 2025
Record UNII
XZ35697ERV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzeneacetic acid, 4-(cyclopropylcarbonyl)-?,?-dimethyl-, methyl ester
Preferred Name English
Methyl 4-(cyclopropylcarbonyl)-?,?-dimethylbenzeneacetate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70477008
Created by admin on Wed Apr 02 16:29:57 GMT 2025 , Edited by admin on Wed Apr 02 16:29:57 GMT 2025
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PUBCHEM
12072643
Created by admin on Wed Apr 02 16:29:57 GMT 2025 , Edited by admin on Wed Apr 02 16:29:57 GMT 2025
PRIMARY
CAS
880088-78-8
Created by admin on Wed Apr 02 16:29:57 GMT 2025 , Edited by admin on Wed Apr 02 16:29:57 GMT 2025
PRIMARY
FDA UNII
XZ35697ERV
Created by admin on Wed Apr 02 16:29:57 GMT 2025 , Edited by admin on Wed Apr 02 16:29:57 GMT 2025
PRIMARY