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6-Methoxy-1H-indole-3-acetonitrile

6-Methoxy-1H-indole-3-acetonitrile structure

CAS No:
23084-35-7
Formula:
C11H10N2O
Chemical Name:
6-Methoxy-1H-indole-3-acetonitrile
Synonyms:
1H-Indole-3-acetonitrile,6-methoxy-;Indole-3-acetonitrile,6-methoxy-;6-Methoxy-1H-indole-3-acetonitrile;2-(6-Methoxy-1H-indol-3-yl)acetonitrile

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6-Methoxy-1H-indole-3-acetonitrile Basic Attributes

Molecular Weight：

186.21000

Exact Mass：

186.21

DSSTox ID：

DTXSID10354864

HScode：

2933990090

Characteristics

PSA：

48.81000

XLogP3：

2.24258

Density：

1.224g/cm3

Melting Point：

111-112 °C @ Solvent: Benzene

Boiling Point：

408.3ºC

Flash Point：

200.7ºC

Refractive Index：

1.638

Vapor Pressure：

7.09E-07mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): 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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

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

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Guide of 6-Methoxy-1H-indole-3-acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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