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2,2-Dimethyl-1,3-butanediol

2,2-Dimethyl-1,3-butanediol structure

CAS No:
76-35-7
Formula:
C6H14O2
Chemical Name:
2,2-Dimethyl-1,3-butanediol
Synonyms:
1,3-Butanediol,2,2-dimethyl-;2,2-Dimethyl-1,3-butanediol;NSC 35407;2,2,3-Trimethyl-1,3-propanediol

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2,2-Dimethyl-1,3-butanediol Basic Attributes

Molecular Weight：

118.176

Exact Mass：

118.17

NSC Number：

35407

Characteristics

PSA：

40.5

XLogP3：

0.5

Density：

0.9843 (rough estimate)

Melting Point：

80-81 °C

Boiling Point：

117 °C @ Press: 13.5 Torr

Computed Properties

Molecular Weight:118.17
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:118.099379685
Monoisotopic Mass:118.099379685
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:68.9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,2-Dimethyl-1,3-butanediol

Basic Attributes
Characteristics
Computed Properties

2,2-Dimethyl-1,3-butanediol

SDS

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