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Details

Stereochemistry ACHIRAL
Molecular Formula C10H8N2
Molecular Weight 156.1839
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOLE-3-ACETONITRILE

SMILES

N#CCC1=CNC2=C1C=CC=C2

InChI

InChIKey=DMCPFOBLJMLSNX-UHFFFAOYSA-N
InChI=1S/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2

HIDE SMILES / InChI

Molecular Formula C10H8N2
Molecular Weight 156.1839
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 Fri Dec 15 17:48:41 GMT 2023
Edited
by admin
on Fri Dec 15 17:48:41 GMT 2023
Record UNII
AG97OFW8JW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOLE-3-ACETONITRILE
Systematic Name English
NSC-523272
Code English
3-INDOLYLACETONITRILE
Systematic Name English
ACETONITRILE, 3-INDOLYL-
Systematic Name English
1H-INDOLE-3-ACETONITRILE
Systematic Name English
INDOLYLACETONITRILE
Systematic Name English
3-CYANOMETHYL-1H-INDOLE
Systematic Name English
INDOLEACETONITRILE
Systematic Name English
3-(CYANOMETHYL)INDOLE
Systematic Name English
(1H-INDOL-3-YL)ACETONITRILE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
212-232-1
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY
FDA UNII
AG97OFW8JW
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID5061118
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY
CAS
771-51-7
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY
PUBCHEM
351795
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
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CHEBI
17566
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY
NSC
523272
Created by admin on Fri Dec 15 17:48:41 GMT 2023 , Edited by admin on Fri Dec 15 17:48:41 GMT 2023
PRIMARY