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Details

Stereochemistry ACHIRAL
Molecular Formula C3H7NO4
Molecular Weight 121.092
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABRUCOMSTAT

SMILES

OCCCO[N+]([O-])=O

InChI

InChIKey=PTMLFFXFTRSBJW-UHFFFAOYSA-N
InChI=1S/C3H7NO4/c5-2-1-3-8-4(6)7/h5H,1-3H2

HIDE SMILES / InChI

Molecular Formula C3H7NO4
Molecular Weight 121.092
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
582N19CWP9
Record Status Validated (UNII)
Record Version