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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O3
Molecular Weight 178.1846
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-METHYLENEDIOXYPHENYL-2-PROPANONE

SMILES

CC(=O)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=XIYKRJLTYKUWAM-UHFFFAOYSA-N
InChI=1S/C10H10O3/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5H,4,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H10O3
Molecular Weight 178.1846
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
PNA80F81BT
Record Status Validated (UNII)
Record Version