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3-(CYANOACETYL)-2-METHYLINDOLE

3-(CYANOACETYL)-2-METHYLINDOLE structure

CAS No:
76397-72-3
Formula:
C12H10N2O
Chemical Name:
3-(CYANOACETYL)-2-METHYLINDOLE
Synonyms:
3-(CYANOACETYL)-2-METHYLINDOLE;3-(2-METHYL-1H-INDOL-3-YL)-3-OXO-PROPIONITRILE;3-(2-methyl-1H-indol-3-yl)-3-oxopropanenitrile

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3-(CYANOACETYL)-2-METHYLINDOLE Basic Attributes

Molecular Weight：

198.22

Exact Mass：

198.07900

DSSTox ID：

DTXSID40351624

Characteristics

PSA：

56.6

XLogP3：

2.57268

Density：

1.242 g/cm3

Boiling Point：

445.5ºC at 760 mmHg

Flash Point：

223.2ºC

Refractive Index：

1.646

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:198.22
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:198.079312947
Monoisotopic Mass:198.079312947
Topological Polar Surface Area:56.6
Heavy Atom Count:15
Complexity:304
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(CYANOACETYL)-2-METHYLINDOLE

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(CYANOACETYL)-2-METHYLINDOLE

SDS

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