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3-Isobutyl-2-oxindole

3-Isobutyl-2-oxindole structure

CAS No:
251550-17-1
Formula:
C12H15NO
Chemical Name:
3-Isobutyl-2-oxindole
Synonyms:
3-isobutyl-1,3-dihydro-2H-indol-2-one;3-Isobutyl-1,3-dihydro-1H-indol-2-one;3-Isobutylindolin-2-one, 1,3-Dihydro-3-(2-methylprop-1-yl)-2H-indol-2-one;3-(2-methylpropyl)-2,3-dihydro-1H-indol-2-one;3-ISOBUTYL-1,3-DIHYDRO-INDOL-2-ONE;3-Isobutyl-2-oxindole;2H-Indol-2-one, 1,3-dihydro-3-(2-methylpropyl)-;3-(2-methylpropyl)-1,3-dihydroindol-2-one

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3-Isobutyl-2-oxindole Basic Attributes

Molecular Weight：

189.25

Exact Mass：

189.115364102

DSSTox ID：

DTXSID70378127

HScode：

2933990090

Characteristics

PSA：

29.10000

XLogP3：

2.90640

Density：

1.039±0.06 g/cm3

Melting Point：

96.0-97.0 °C(Solv: dichloromethane (75-09-2); hexane (110-54-3))

Boiling Point：

313.6±31.0 °C(Predicted)

Flash Point：

185ºC

Refractive Index：

1.525

Vapor Pressure：

0.00049mmHg at 25°C

PKA：

14.81±0.40

Safety Information

Marks：

Computed Properties

Molecular Weight:189.25
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:189.115364102
Monoisotopic Mass:189.115364102
Topological Polar Surface Area:29.1
Heavy Atom Count:14
Complexity:224
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Isobutyl-2-oxindole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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