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1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate

1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate structure

CAS No:
16668-48-7
Formula:
C16H22Cl2O4
Chemical Name:
1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate
Synonyms:
Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid,α1,α3-dichloro-,1,3-dimethyl ester;1,3-Adamantanediacetic acid,α,α′-dichloro-,dimethyl ester;Tricyclo[3.3.1.13,7]decane-1,3-diacetic acid,α,α′-dichloro-,dimethyl ester;1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate

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1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate Basic Attributes

Molecular Weight：

349.24900

Exact Mass：

349.25

EC Number：

240-713-6

Characteristics

PSA：

52.60000

XLogP3：

3.13380

Density：

1.328g/cm3

Boiling Point：

174-176 °C

Flash Point：

143.8ºC

Refractive Index：

1.544

Vapor Pressure：

9.68E-07mmHg at 25°C

Computed Properties

Molecular Weight:349.2
XLogP3:3.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:348.0895146
Monoisotopic Mass:348.0895146
Topological Polar Surface Area:52.6
Heavy Atom Count:22
Complexity:439
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Dimethyl α1,α3-dichlorotricyclo[3.3.1.13,7]decane-1,3-diacetate

Basic Attributes
Characteristics
Computed Properties
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