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Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N2O2
Molecular Weight 168.1931
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of HEXAMETHYLENE DIISOCYANATE

SMILES

O=C=NCCCCCCN=C=O

InChI

InChIKey=RRAMGCGOFNQTLD-UHFFFAOYSA-N
InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

HIDE SMILES / InChI
Molecular Formula C8H12N2O2
Molecular Weight 168.1931
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

2013
596

PubMed

Patents

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Substance Class Chemical
Record UNII
0I70A3I1UF
Record Status Validated (UNII)
Record Version
NIH
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