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Structure

5-Cyanoindole-3-carboxaldehyde

CAS
17380-18-6
Catalog Number
ACM17380186
Category
Other Products
Molecular Weight
170.17
Molecular Formula
C10H6N2O

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Specification

Synonyms
5-Cyano-3-formyl indole, 3-Formylindole-5-carbonitrile, BRN 0389069, INDOLE-5-CARBONITRILE, 3-FORMYL-, LS-82440, C-8870, 5-22-06-00313 (Beilstein Handbook Reference), 17380-18-6
IUPAC Name
3-formyl-1H-indole-5-carbonitrile
Canonical SMILES
C1=CC2=C(C=C1C#N)C(=CN2)C=O
InChI Key
NVBCFOQYDFKXJJ-UHFFFAOYSA-N
Boiling Point
429.6ºC at 760 mmHg
Melting Point
248-253ºC
Flash Point
213.6ºC
Density
11.33 g/cm³
Appearance
white to off-white crystalline powder
Exact Mass
170.04800
Hazard Statements
Xn: Harmful;Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
1
Safety Description
26-36/37
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