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1-Phenyl-1-hexyn-3-one

1-Phenyl-1-hexyn-3-one structure

CAS No:
14252-32-5
Formula:
C12H12O
Chemical Name:
1-Phenyl-1-hexyn-3-one
Synonyms:
1-Hexyn-3-one,1-phenyl-;1-Phenyl-1-hexyn-3-one;1-Butanoyl-2-phenylacetylene

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1-Phenyl-1-hexyn-3-one Basic Attributes

Molecular Weight：

172.22300

Exact Mass：

172.22

DSSTox ID：

DTXSID00162071

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

2.40730

Density：

1.01g/cm3

Boiling Point：

151 °C @ Press: 20 Torr

Flash Point：

106.2ºC

Refractive Index：

1.535

Vapor Pressure：

0.00282mmHg at 25°C

Computed Properties

Molecular Weight:172.22
XLogP3:3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:172.088815002
Monoisotopic Mass:172.088815002
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Phenyl-1-hexyn-3-one

Basic Attributes
Characteristics
Computed Properties

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