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3-Methyl-1-hexyn-3-ol

3-Methyl-1-hexyn-3-ol structure

CAS No:
4339-05-3
Formula:
C7H12O
Chemical Name:
3-Methyl-1-hexyn-3-ol
Synonyms:
1-Hexyn-3-ol,3-methyl-;3-Methyl-1-hexyn-3-ol;Ethynylmethylpropylcarbinol;NSC 9470;3-Propyl-1-butyn-3-ol;104684-17-5

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3-Methyl-1-hexyn-3-ol Basic Attributes

Molecular Weight：

112.17000

Exact Mass：

112.17

NSC Number：

9470

Characteristics

PSA：

20.23000

XLogP3：

1.17070

Density：

0.8671 g/cm³ @ Temp: 17 °C

Melting Point：

-20.62°C (estimate)

Boiling Point：

137 °C

Flash Point：

37.8ºC

Refractive Index：

1.451

Computed Properties

Molecular Weight:112.17
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:109
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-1-hexyn-3-ol

Basic Attributes
Characteristics
Computed Properties

3-Methyl-1-hexyn-3-ol

SDS

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