3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
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3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
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CAS No:
20356-45-0
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Formula:
C11H8N2O
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Chemical Name:
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE
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Synonyms:
AKOSBBS-00006916;3-(CYANOACETYL)INDOLE;3-Cyanoacetyl-1H-indole;β-Oxo-1H-indole-3-propanenitrile;3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE;3-(1H-INDOL-3-YL)-3-OXOPROPANENITRILE;3-(1H-indol-3-yl)-3-keto-propionitrile
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CAS No:
3-(1H-INDOL-3-YL)-3-OXO-PROPIONITRILE Basic Attributes
184.19400
184.06400
DTXSID90368727
2933990090
Safety Information
26-45
Xi
|Danger|H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:184.19
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:184.063662883
Monoisotopic Mass:184.063662883
Topological Polar Surface Area:56.6
Heavy Atom Count:14
Complexity:278
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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