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1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone

1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone structure

CAS No:
175203-51-7
Formula:
C11H12O2S
Chemical Name:
1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone
Synonyms:
2-acetyl-5-(3-hydroxy-3-methylbut-1-ynyl)thiophene; 1-[5-(3-hydroxy-3-methylbut-1-yn-1-yl)thiophen-2-yl]ethanone; 1-[5-(3-Hydroxy-3-methylbut-1-ynyl)-2-thienyl]ethan-1-one; 4-(5-Acetylthien-2-yl)-2-methylbut-3-yn-2-ol;

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1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone Basic Attributes

Molecular Weight：

208.27700

Exact Mass：

208.05580079 g/mol

DSSTox ID：

DTXSID90349798

HScode：

2934999090

Characteristics

PSA：

65.54000

XLogP3：

2.07310

Density：

1.2g/cm3

Melting Point：

79-82ºC

Boiling Point：

373.9ºC at 760 mmHg

Flash Point：

179.9ºC

Refractive Index：

1.572

Vapor Pressure：

2.97E-06mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26

Marks：

Computed Properties

Molecular Weight:208.28
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:208.05580079
Monoisotopic Mass:208.05580079
Topological Polar Surface Area:65.5
Heavy Atom Count:14
Complexity:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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