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1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE

1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE structure

CAS No:
249278-25-9
Formula:
C13H18O3
Chemical Name:
1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE
Synonyms:
1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE;1-[2-Hydroxy-6-(3-methylbutoxy)phenyl]ethan-1-one;2'-Hydroxy-6'-(3-methylbutoxy)acetophenone;1-[2-DYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE;Ethanone, 1-[2-hydroxy-6-(3-methylbutoxy)phenyl]-

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1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE Basic Attributes

Molecular Weight：

222.28

Exact Mass：

222.125594432 g/mol

DSSTox ID：

DTXSID80342955

Characteristics

PSA：

46.53000

XLogP3：

3.01970

Density：

1.059±0.06 g/cm3

Melting Point：

25-27°C

Boiling Point：

328.0±22.0 °C(Predicted)

Flash Point：

118.2ºC

Refractive Index：

1.515

Vapor Pressure：

0.000102mmHg at 25°C

PKA：

9.82±0.10

Safety Information

hazard class code：

R36/37/38

Marks：

Computed Properties

Molecular Weight:222.28
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:222.125594432
Monoisotopic Mass:222.125594432
Topological Polar Surface Area:46.5
Heavy Atom Count:16
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[2-HYDROXY-6-(ISOPENTYLOXY)PHENYL]ETHAN-1-ONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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