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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14O3
Molecular Weight 218.2485
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methylbut-3-yn-2-yl 4-methoxybenzoate

SMILES

COC1=CC=C(C=C1)C(=O)OC(C)(C)C#C

InChI

InChIKey=WRGOVRZCLGHFFF-UHFFFAOYSA-N
InChI=1S/C13H14O3/c1-5-13(2,3)16-12(14)10-6-8-11(15-4)9-7-10/h1,6-9H,2-4H3

HIDE SMILES / InChI

Molecular Formula C13H14O3
Molecular Weight 218.2485
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 15:45:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:45:11 GMT 2023
Record UNII
MN234D98U6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methylbut-3-yn-2-yl 4-methoxybenzoate
Systematic Name English
Benzoic acid, 4-methoxy-, 1,1-dimethyl-2-propyn-1-yl ester
Systematic Name English
1,1-Dimethyl-2-propyn-1-yl 4-methoxybenzoate
Systematic Name English
Code System Code Type Description
CAS
294619-87-7
Created by admin on Sat Dec 16 15:45:11 GMT 2023 , Edited by admin on Sat Dec 16 15:45:11 GMT 2023
PRIMARY
PUBCHEM
708205
Created by admin on Sat Dec 16 15:45:11 GMT 2023 , Edited by admin on Sat Dec 16 15:45:11 GMT 2023
PRIMARY
FDA UNII
MN234D98U6
Created by admin on Sat Dec 16 15:45:11 GMT 2023 , Edited by admin on Sat Dec 16 15:45:11 GMT 2023
PRIMARY