U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H16O2
Molecular Weight 204.2649
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Vinyl 4-(1,1-dimethylethyl)benzoate

SMILES

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

InChI

InChIKey=ZLHVSEPPILCZHH-UHFFFAOYSA-N
InChI=1S/C13H16O2/c1-5-15-12(14)10-6-8-11(9-7-10)13(2,3)4/h5-9H,1H2,2-4H3

HIDE SMILES / InChI

Molecular Formula C13H16O2
Molecular Weight 204.2649
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 12:22:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:22:27 GMT 2023
Record UNII
G5TPN7T27Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Vinyl 4-(1,1-dimethylethyl)benzoate
Systematic Name English
Ethenyl 4-(1,1-dimethylethyl)benzoate
Systematic Name English
Benzoic acid, 4-(1,1-dimethylethyl)-, ethenyl ester
Systematic Name English
Vinyl p-tert-butylbenzoate
Common Name English
Vinyl 4-tert-butylbenzoate
Common Name English
Code System Code Type Description
FDA UNII
G5TPN7T27Z
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
PUBCHEM
84940
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID40165748
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
CAS
15484-80-7
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
239-510-5
Created by admin on Sat Dec 16 12:22:27 GMT 2023 , Edited by admin on Sat Dec 16 12:22:27 GMT 2023
PRIMARY