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5-Heptyn-3-ol

5-Heptyn-3-ol structure

CAS No:
19781-82-9
Formula:
C7H12O
Chemical Name:
5-Heptyn-3-ol
Synonyms:
5-Heptyn-3-ol;150757-35-0

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5-Heptyn-3-ol Basic Attributes

Molecular Weight：

112.17000

Exact Mass：

112.17

DSSTox ID：

DTXSID00337505

HScode：

2905290000

Characteristics

PSA：

20.23000

XLogP3：

1.17070

Density：

0.89

Melting Point：

142-144ºC

Boiling Point：

188.5ºC at 760 mmHg

Flash Point：

77.8ºC

Refractive Index：

1.454

Vapor Pressure：

0.164mmHg at 25°C

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26

Computed Properties

Molecular Weight:112.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:112.088815002
Monoisotopic Mass:112.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:8
Complexity:104
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Heptyn-3-ol

Basic Attributes
Characteristics
Safety Information
Computed Properties

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