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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H16O3
Molecular Weight 208.2536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANISYL BUTYRATE

SMILES

CCCC(=O)OCC1=CC=C(OC)C=C1

InChI

InChIKey=MEPOOZLETHNMSR-UHFFFAOYSA-N
InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H16O3
Molecular Weight 208.2536
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
Z8T0G5UDPH
Record Status Validated (UNII)
Record Version