5-Methoxyindole-3-acetonitrile
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5-Methoxyindole-3-acetonitrile
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CAS No:
2436-17-1
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Formula:
C11H10N2O
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Chemical Name:
5-Methoxyindole-3-acetonitrile
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Synonyms:
5-METHOXYINDOLE-3-ACETONITRILE;3-(Cyanomethyl)-5-methoxyindole;5-METHOXY-3-INDOLYLACETONITRILE;5-METHOXY-3-INDOLYLACETONITRILE97%;3-(Cyanomethyl)-5-methoxy-1H-indole;5-Methoxyindol-3-ylAcetonitrile;(5-METHOXY-1H-INDOL-3-YL)ACETONITRILE;2-(5-Methoxy-1H-indol-3-yl)acetonitrile
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CAS No:
Characteristics
48.81000
2.24258
Brown powder
1.224g/cm3
65-69 °C(lit.)
408.3ºC at 760mmHg
200.7ºC
1.638
7.09E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
3
Xi: Irritant;
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:186.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:186.079312947
Monoisotopic Mass:186.079312947
Topological Polar Surface Area:48.8
Heavy Atom Count:14
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes