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Details

Stereochemistry ACHIRAL
Molecular Formula C10H11NO2
Molecular Weight 177.1998
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIHYDROGENTIANINE

SMILES

CCC1=CN=CC2=C1CCOC2=O

InChI

InChIKey=CGEYWBNDAOZQHC-UHFFFAOYSA-N
InChI=1S/C10H11NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h5-6H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H11NO2
Molecular Weight 177.1998
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
9DUU9KNI7F
Record Status Validated (UNII)
Record Version