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rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate

rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate structure

CAS No:
153725-47-4
Formula:
C12H22O2
Chemical Name:
rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate
Synonyms:
Cyclohexanecarboxylic acid,2,2,6-trimethyl-,ethyl ester,(1R,6R)-rel-;Cyclohexanecarboxylic acid,2,2,6-trimethyl-,ethyl ester,cis-;rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate

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rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate Basic Attributes

Molecular Weight：

198.30200

Exact Mass：

198.30

Characteristics

PSA：

26.30000

XLogP3：

3.01190

Density：

0.905g/cm3

Boiling Point：

227.6ºC at 760 mmHg

Flash Point：

93.7ºC

Refractive Index：

1.436

Vapor Pressure：

0.0767mmHg at 25°C

rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate Use and Manufacturing

Manufacturing Info：

Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6R)-rel-: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:198.30
XLogP3:3.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:208
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-Ethyl (1R,6R)-2,2,6-trimethylcyclohexanecarboxylate

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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