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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, CIS-

SMILES

O=C=NC[C@H]1CCC[C@@H](CN=C=O)C1

InChI

InChIKey=XSCLFFBWRKTMTE-AOOOYVTPSA-N
InChI=1S/C10H14N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h9-10H,1-6H2/t9-,10+

HIDE SMILES / InChI

Molecular Formula C10H14N2O2
Molecular Weight 194.2304
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:15:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:15:38 GMT 2025
Record UNII
98W6RW0208
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYCLOHEXANE, 1,3-BIS(ISOCYANATOMETHYL)-, (1R,3S)-REL-
Preferred Name English
1,3-BIS(ISOCYANATOMETHYL)CYCLOHEXANE, CIS-
Systematic Name English
ISOCYANIC ACID, 1,3-CYCLOHEXYLENEDIMETHYLENE ESTER, CIS-
Systematic Name English
Code System Code Type Description
CAS
10339-98-7
Created by admin on Mon Mar 31 23:15:38 GMT 2025 , Edited by admin on Mon Mar 31 23:15:38 GMT 2025
PRIMARY
FDA UNII
98W6RW0208
Created by admin on Mon Mar 31 23:15:38 GMT 2025 , Edited by admin on Mon Mar 31 23:15:38 GMT 2025
PRIMARY
PUBCHEM
86638773
Created by admin on Mon Mar 31 23:15:38 GMT 2025 , Edited by admin on Mon Mar 31 23:15:38 GMT 2025
PRIMARY