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Details

Stereochemistry ACHIRAL
Molecular Formula C16H22N2O
Molecular Weight 258.3587
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HO-MCPET

SMILES

CN(CCC1=CNC2=C1C(O)=CC=C2)C3CCCC3

InChI

InChIKey=QTXSMWNGMGYWTA-UHFFFAOYSA-N
InChI=1S/C16H22N2O/c1-18(13-5-2-3-6-13)10-9-12-11-17-14-7-4-8-15(19)16(12)14/h4,7-8,11,13,17,19H,2-3,5-6,9-10H2,1H3

HIDE SMILES / InChI

Molecular Formula C16H22N2O
Molecular Weight 258.3587
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
3R9FYL6TXX
Record Status Validated (UNII)
Record Version