(Q72486422)

English

3-Isoquinolinecarbonitrile

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

0 references

mass

154.053098192 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₀H₆N₂

0 references

canonical SMILES

C1=CC=C2C=NC(=CC2=C1)C#N

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melting point

127.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H

0 references

InChIKey

GXXBVBVNGMCFIU-UHFFFAOYSA-N

0 references

0 references

1 reference

matched by identifier from

InChIKey

GXXBVBVNGMCFIU-UHFFFAOYSA-N

ChEBI ID

194843

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C10H6N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H

1 reference

1 reference

matched by identifier from

InChIKey

GXXBVBVNGMCFIU-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID80358950

0 references

EC number

620-659-3

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.149.582

retrieved

29 December 2019

title

isoquinoline-3-carbonitrile (English)

quotation

CAS no.: 26947-41-1 (English)

ECHA Substance Infocard ID

100.149.582

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.149.582

retrieved

29 December 2019

title

isoquinoline-3-carbonitrile (English)

quotation

CAS no.: 26947-41-1 (English)

(Q72486422)

3-Isoquinolinecarbonitrile

Statements

Identifiers

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