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Details

Stereochemistry RACEMIC
Molecular Formula C12H17NO
Molecular Weight 191.2695
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTEDRONE

SMILES

CCCC(NC)C(=O)C1=CC=CC=C1

InChI

InChIKey=WLIWIUNEJRETFX-UHFFFAOYSA-N
InChI=1S/C12H17NO/c1-3-7-11(13-2)12(14)10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H17NO
Molecular Weight 191.2695
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
2ELU1B757Q
Record Status Validated (UNII)
Record Version