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1-(2,5-dimethylthiophen-3-yl)butan-1-one

1-(2,5-dimethylthiophen-3-yl)butan-1-one structure

CAS No:
500891-66-7
Formula:
C10H14OS
Chemical Name:
1-(2,5-dimethylthiophen-3-yl)butan-1-one

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1-(2,5-dimethylthiophen-3-yl)butan-1-one Basic Attributes

Molecular Weight：

182.28300

Exact Mass：

182.07653624 g/mol

NSC Number：

170822

DSSTox ID：

DTXSID30305459

HScode：

2934999090

Characteristics

PSA：

45.31000

XLogP3：

3.34770

Density：

1.035g/cm3

Boiling Point：

266.2ºC at 760 mmHg

Flash Point：

114.8ºC

Refractive Index：

1.52

Computed Properties

Molecular Weight:182.28
XLogP3:2.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:182.07653624
Monoisotopic Mass:182.07653624
Topological Polar Surface Area:45.3
Heavy Atom Count:12
Complexity:167
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2,5-dimethylthiophen-3-yl)butan-1-one

Basic Attributes
Characteristics
Computed Properties

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