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4,6,6-Trimethyl-2-heptanol

4,6,6-Trimethyl-2-heptanol structure

CAS No:
51079-79-9
Formula:
C10H22O
Chemical Name:
4,6,6-Trimethyl-2-heptanol
Synonyms:
2-Heptanol,4,6,6-trimethyl-;4,6,6-Trimethyl-2-heptanol;2,2,4-Trimethylheptan-6-ol

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4,6,6-Trimethyl-2-heptanol Basic Attributes

Molecular Weight：

158.28100

Exact Mass：

158.28

EC Number：

256-955-0

UNII：

C4W9R3DYC2

HScode：

2905199090

Characteristics

PSA：

20.23000

XLogP3：

2.82960

Density：

0.8265 g/cm³

Boiling Point：

91.0-94.4 °C @ Press: 25 Torr

Flash Point：

72.1ºC

Refractive Index：

1.432

Computed Properties

Molecular Weight:158.28
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:158.167065321
Monoisotopic Mass:158.167065321
Topological Polar Surface Area:20.2
Heavy Atom Count:11
Complexity:102
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6,6-Trimethyl-2-heptanol

Basic Attributes
Characteristics
Computed Properties

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