(Q82863079)

English

Cyclohexane, 1,4-diisocyanato-, trans-

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

Cyclohexane-1,4-diisocyanate

1 reference

based on heuristic

inferred from InChIKey

166.07422756 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₈H₁₀N₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

O=C=NC1CCC(N=C=O)CC1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C=N[C@H]1CC[C@H](N=C=O)CC1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C8H10N2O2/c11-5-9-7-1-2-8(4-3-7)10-6-12/h7-8H,1-4H2/t7-,8-

0 references

CDMDQYCEEKCBGR-ZKCHVHJHSA-N

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CAS Registry Number

1 reference

CAS Common Chemistry

7 April 2021

https://commonchemistry.cas.org/detail?cas_rn=7517-76-2

CDMDQYCEEKCBGR-ZKCHVHJHSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

CDMDQYCEEKCBGR-ZKCHVHJHSA-N

NMRShiftDB structure ID

1 reference

matched by identifier from

CDMDQYCEEKCBGR-ZKCHVHJHSA-N

DSSTox substance ID

1 reference

matched by identifier from

CDMDQYCEEKCBGR-ZKCHVHJHSA-N

DSSTOX compound identifier

DTXCID301023838

0 references

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NODES