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1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate structure

CAS No:
67763-19-3
Formula:
C19H36O6
Chemical Name:
1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate
Synonyms:
Heptanoic acid,1,1′-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester;Heptanoic acid,2,2-bis(hydroxymethyl)-1,3-propanediyl ester;1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate;Pentaerythritol diheptanoate

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1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate Basic Attributes

Molecular Weight：

360.48554

Exact Mass：

360.49

EC Number：

267-042-1

UNII：

82QX7D2Y6N

Characteristics

PSA：

93.1

XLogP3：

3.7

Density：

1.047±0.06 g/cm3(Predicted)

Boiling Point：

426.4ºC at 760 mmHg

Flash Point：

134.3ºC

Refractive Index：

1.473

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate Use and Manufacturing

Manufacturing Info：

Heptanoic acid, 1,1'-[2,2-bis(hydroxymethyl)-1,3-propanediyl] ester: INACTIVE

Computed Properties

Molecular Weight:360.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:360.25118886
Monoisotopic Mass:360.25118886
Topological Polar Surface Area:93.1
Heavy Atom Count:25
Complexity:322
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,1′-[2,2-Bis(hydroxymethyl)-1,3-propanediyl] diheptanoate

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