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Details

Stereochemistry RACEMIC
Molecular Formula C9H9NO4
Molecular Weight 195.1721
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOPAQUINONE, (±)-

SMILES

NC(CC1=CC(=O)C(=O)C=C1)C(O)=O

InChI

InChIKey=AHMIDUVKSGCHAU-UHFFFAOYSA-N
InChI=1S/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C9H9NO4
Molecular Weight 195.1721
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
5P7FHT9NL7
Record Status Validated (UNII)
Record Version