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Details

Stereochemistry ACHIRAL
Molecular Formula C13H13NO3
Molecular Weight 231.2472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-METHOXY-5,6-DIHYDRO-4H-BENZO(3,4)CYCLOHEPTA(1,2-D)ISOXAZOL-9-OL

SMILES

COC1=CC2=C(C=C1O)C3=C(CCC2)C=NO3

InChI

InChIKey=UFYXVFXZURHFLB-UHFFFAOYSA-N
InChI=1S/C13H13NO3/c1-16-12-5-8-3-2-4-9-7-14-17-13(9)10(8)6-11(12)15/h5-7,15H,2-4H2,1H3

HIDE SMILES / InChI
Molecular Formula C13H13NO3
Molecular Weight 231.2472
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

Unknown
149,124
Substance Class Chemical
Record UNII
5VLE3L0GOR
Record Status Validated (UNII)
Record Version
NIH
NCATS
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