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Structure

1H-Indole-3-propanenitrile,b-oxo-

CAS
20356-45-0
Catalog Number
ACM20356450
Category
Other Products
Molecular Weight
184.194
Molecular Formula
C11H8N2O

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Specification

Synonyms
MolPort-002-464-697, ZINC03337379, HMS1729D01, ZERO/010464, CID2453568, 20356-45-0
IUPAC Name
3-(1H-indol-3-yl)-3-oxopropanenitrile
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)CC#N
InChI Key
KSKBLDDGNWKWKN-UHFFFAOYSA-N
Boiling Point
447.2ºC at 760 mmHg
Melting Point
241ºC
Flash Point
224.3ºC
Density
1.285 g/cm³
Appearance
Solid
Exact Mass
184.06400
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
1
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