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Structure

3-(Cyanoacetyl)-2-methylindole

CAS
76397-72-3
Catalog Number
ACM76397723
Category
Other Products
Molecular Weight
198.22
Molecular Formula
C12H10N2O

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Specification

Synonyms
Enamine_003846, Oprea1_351568, MolPort-000-224-527, ZINC00090262, HMS1404O18, CID705294, AC-0832, IDI1_007489, 76397-72-3
IUPAC Name
3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
Canonical SMILES
CC1=C(C2=CC=CC=C2N1)C(=O)CC#N
InChI Key
WUECABRAWUKURJ-UHFFFAOYSA-N
Boiling Point
445.5ºC at 760 mmHg
Flash Point
223.2ºC
Density
1.242 g/cm³
Exact Mass
198.07900
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
2
H-Bond Donor
1
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