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rel-(2R,4R)-2,4-Pentanediol

rel-(2R,4R)-2,4-Pentanediol structure

CAS No:
36402-52-5
Formula:
C5H12O2
Chemical Name:
rel-(2R,4R)-2,4-Pentanediol
Synonyms:
2,4-Pentanediol,(2R,4R)-rel-;2,4-Pentanediol,(R*,R*)-;rel-(2R,4R)-2,4-Pentanediol;(R*,R*)-2,4-Pentanediol;rac-2,4-Pentanediol;(±)-2,4-Pentanediol;DL-2,4-Pentanediol;dl-2,4-Pentanediol;1825-14-5

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rel-(2R,4R)-2,4-Pentanediol Basic Attributes

Molecular Weight：

104.15

Exact Mass：

104.15

EC Number：

253-017-2

UNII：

EX4IXW1090

Characteristics

Density：

0.974±0.06 g/cm3

Boiling Point：

199.5±0.0 °C(Predicted)

PKA：

14.74±0.20

Computed Properties

Molecular Weight:104.15
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:104.083729621
Monoisotopic Mass:104.083729621
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:39.3
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(2R,4R)-2,4-Pentanediol

Basic Attributes
Characteristics
Computed Properties

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