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1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one

1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one structure

CAS No:
15272-17-0
Formula:
C11H18N2O3
Chemical Name:
1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one
Synonyms:
2(1H)-Pyrazinone,1-hydroxy-6-(1-hydroxy-1-methylethyl)-3-(2-methylpropyl)-(9CI); 2(1H)-Pyrazinone,1-hydroxy-6-(1-hydroxy-1-methylethyl)-3-isobutyl; Mutaaspergillic acid; 2(1H)-Pyrazinone,1-hydroxy-6-(1-hydroxy-1-methylethyl)-3-(2-methylpropyl); 1-Hydroxy-6-(1-hydroxy-1-methylethyl)-3-isobutyl-2(1H)-pyrazinone;

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1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one Basic Attributes

Molecular Weight：

226.27200

Exact Mass：

226.13174244 g/mol

UNII：

9S4DHR66TV

DSSTox ID：

DTXSID30165111

HScode：

2933990090

Characteristics

PSA：

75.35000

XLogP3：

0.90650

Density：

1.18g/cm3

Boiling Point：

377.3ºC at 760 mmHg

Flash Point：

182ºC

Refractive Index：

1.543

Vapor Pressure：

3.06E-07mmHg at 25°C

Computed Properties

Molecular Weight:226.27
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:226.13174244
Monoisotopic Mass:226.13174244
Topological Polar Surface Area:73.1
Heavy Atom Count:16
Complexity:356
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-hydroxy-6-(2-hydroxypropan-2-yl)-3-(2-methylpropyl)pyrazin-2-one

Basic Attributes
Characteristics
Computed Properties

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