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1-Phenyl-1,4-butanediol

1-Phenyl-1,4-butanediol structure

CAS No:
4850-50-4
Formula:
C10H14O2
Chemical Name:
1-Phenyl-1,4-butanediol
Synonyms:
1,4-Butanediol,1-phenyl-;1-Phenyl-1,4-butanediol;1,4-Dihydroxy-1-phenylbutane;NSC 98557;103668-47-9

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1-Phenyl-1,4-butanediol Basic Attributes

Molecular Weight：

166.21700

Exact Mass：

166.22

NSC Number：

98557

Characteristics

PSA：

40.46000

XLogP3：

1.49250

Density：

1.1g/cm3

Melting Point：

65-66 °C

Boiling Point：

145-150 °C @ Press: 0.9 Torr

Flash Point：

153.9ºC

Refractive Index：

1.55

Computed Properties

Molecular Weight:166.22
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:166.099379685
Monoisotopic Mass:166.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:12
Complexity:108
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Phenyl-1,4-butanediol

Basic Attributes
Characteristics
Computed Properties

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