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Details

Stereochemistry RACEMIC
Molecular Formula C8H13NO2
Molecular Weight 155.1943
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPINE

SMILES

CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]3O[C@@H]23

InChI

InChIKey=FIMXSEMBHGTNKT-RZVDLVGDSA-N
InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8+

HIDE SMILES / InChI

Molecular Formula C8H13NO2
Molecular Weight 155.1943
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
Z5LGM3Q28U
Record Status Validated (UNII)
Record Version