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1-(5-methylthiophen-2-yl)butan-1-one

1-(5-methylthiophen-2-yl)butan-1-one structure

CAS No:
79852-26-9
Formula:
C9H12OS
Chemical Name:
1-(5-methylthiophen-2-yl)butan-1-one
Synonyms:
2-methyl-4-butyrylthiophene;

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1-(5-methylthiophen-2-yl)butan-1-one Basic Attributes

Molecular Weight：

168.25600

Exact Mass：

168.06088618 g/mol

NSC Number：

80376

DSSTox ID：

DTXSID30292113

Characteristics

PSA：

45.31000

XLogP3：

3.03930

Density：

1.053g/cm3

Boiling Point：

267.6ºC

Flash Point：

115.6ºC

Refractive Index：

1.522

Computed Properties

Molecular Weight:168.26
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:168.06088618
Monoisotopic Mass:168.06088618
Topological Polar Surface Area:45.3
Heavy Atom Count:11
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(5-methylthiophen-2-yl)butan-1-one

Basic Attributes
Characteristics
Computed Properties

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