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1-(pyridin-4-yl)-1,3-propanediol

1-(pyridin-4-yl)-1,3-propanediol structure

CAS No:
329325-40-8
Formula:
C8H11NO2
Chemical Name:
1-(pyridin-4-yl)-1,3-propanediol
Synonyms:
1-(pyridin-4-yl)-1,3-propanediol;1-(pyridin-4-yl)propane-1,3-diol;1,3-Propanediol, 1-(4-pyridinyl)-;1-(4-pyridinyl)-1,3-Propanediol

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1-(pyridin-4-yl)-1,3-propanediol Basic Attributes

Molecular Weight：

153.18

Exact Mass：

153.078978594

DSSTox ID：

DTXSID30626792

Characteristics

PSA：

53.35000

XLogP3：

0.49740

Density：

1.199±0.06 g/cm3

Melting Point：

98-100 °C

Boiling Point：

343.5±27.0 °C(Predicted)

PKA：

13.04±0.20

Computed Properties

Molecular Weight:153.18
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:153.078978594
Monoisotopic Mass:153.078978594
Topological Polar Surface Area:53.4
Heavy Atom Count:11
Complexity:102
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(pyridin-4-yl)-1,3-propanediol

Basic Attributes
Characteristics
Computed Properties

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