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Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N2O2
Molecular Weight 218.2518
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2,2,8-TRIMETHYL-4H-(1,3)DIOXINO(4,5-C)PYRIDIN-5-YL)ACETONITRILE

SMILES

CC1=C2OC(C)(C)OCC2=C(CC#N)C=N1

InChI

InChIKey=PKWJQUPIUAIORD-UHFFFAOYSA-N
InChI=1S/C12H14N2O2/c1-8-11-10(7-15-12(2,3)16-11)9(4-5-13)6-14-8/h6H,4,7H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H14N2O2
Molecular Weight 218.2518
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:58:43 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:43 GMT 2023
Record UNII
1RN896AZS3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2,2,8-TRIMETHYL-4H-(1,3)DIOXINO(4,5-C)PYRIDIN-5-YL)ACETONITRILE
Systematic Name English
NSC-106482
Code English
2,2,8-TRIMETHYL-4H-1,3-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE
Systematic Name English
4H-1,3-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE, 2,2,8-TRIMETHYL-
Systematic Name English
4H-M-DIOXINO(4,5-C)PYRIDINE-5-ACETONITRILE, 2,2,8-TRIMETHYL-
Systematic Name English
NSC-118227
Code English
Code System Code Type Description
EPA CompTox
DTXSID60216201
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
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NSC
106482
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
PRIMARY
PUBCHEM
267308
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
PRIMARY
NSC
118227
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
PRIMARY
FDA UNII
1RN896AZS3
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
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CAS
6599-85-5
Created by admin on Sat Dec 16 12:58:43 GMT 2023 , Edited by admin on Sat Dec 16 12:58:43 GMT 2023
PRIMARY