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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)-α,α-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 Sat Dec 16 19:32:19 GMT 2023
Edited
by admin
on Sat Dec 16 19:32:19 GMT 2023
Record UNII
XZ35697ERV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl 4-(cyclopropylcarbonyl)-α,α-dimethylbenzeneacetate
Systematic Name English
Benzeneacetic acid, 4-(cyclopropylcarbonyl)-α,α-dimethyl-, methyl ester
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70477008
Created by admin on Sat Dec 16 19:32:19 GMT 2023 , Edited by admin on Sat Dec 16 19:32:19 GMT 2023
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PUBCHEM
12072643
Created by admin on Sat Dec 16 19:32:19 GMT 2023 , Edited by admin on Sat Dec 16 19:32:19 GMT 2023
PRIMARY
CAS
880088-78-8
Created by admin on Sat Dec 16 19:32:19 GMT 2023 , Edited by admin on Sat Dec 16 19:32:19 GMT 2023
PRIMARY
FDA UNII
XZ35697ERV
Created by admin on Sat Dec 16 19:32:19 GMT 2023 , Edited by admin on Sat Dec 16 19:32:19 GMT 2023
PRIMARY