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2-Cyclohexyl-1,3-propanediol

2-Cyclohexyl-1,3-propanediol structure

CAS No:
2612-32-0
Formula:
C9H18O2
Chemical Name:
2-Cyclohexyl-1,3-propanediol
Synonyms:
1,3-Propanediol,2-cyclohexyl-;2-Cyclohexyl-1,3-propanediol

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2-Cyclohexyl-1,3-propanediol Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

UNII：

SFI58123IQ

DSSTox ID：

DTXSID60180756

Characteristics

PSA：

40.5 Å²

Density：

1.030±0.06 g/cm3

Melting Point：

89-90 °C

Boiling Point：

284.1±8.0 °C(Predicted)

PKA：

14.49±0.10

Computed Properties

Molecular Weight:158.24
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:11
Complexity:93.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyclohexyl-1,3-propanediol

Basic Attributes
Characteristics
Computed Properties

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