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Details

Stereochemistry ACHIRAL
Molecular Formula C13H10N2.C12H18O2
Molecular Weight 388.502
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACRISORCIN

SMILES

CCCCCCC1=CC=C(O)C=C1O.NC2=C3C=CC=CC3=NC4=C2C=CC=C4

InChI

InChIKey=YZODJQFXMFEJRM-UHFFFAOYSA-N
InChI=1S/C13H10N2.C12H18O2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h1-8H,(H2,14,15);7-9,13-14H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H18O2
Molecular Weight 194.2701
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

Molecular Formula C13H10N2
Molecular Weight 194.2319
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
2U918O4BEV
Record Status Validated (UNII)
Record Version