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rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate

rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate structure

CAS No:
1687-29-2
Formula:
C10H16O4
Chemical Name:
rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate
Synonyms:
1,2-Cyclohexanedicarboxylic acid,1,2-dimethyl ester,(1S,2R)-rel-;1,2-Cyclohexanedicarboxylic acid,dimethyl ester,cis-;1,2-Cyclohexanedicarboxylic acid,dimethyl ester,(1R,2S)-rel-;rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate;Dimethyl cis-1,2-cyclohexanedicarboxylate;NSC 144650;cis-1,2-Cyclohexanedicarboxylic acid dimethyl ester;Dimethyl cis-cyclohexane-1,2-dicarboxylate
Categories:
Organic Chemistry > Heterocyclic Ring

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rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate Basic Attributes

Molecular Weight：

200.23200

Exact Mass：

200.23

EC Number：

605-528-0

HScode：

2917209090

Characteristics

PSA：

52.60000

XLogP3：

1.13880

Density：

1.102g/cm3

Boiling Point：

110-111 °C @ Press: 5 Torr

Flash Point：

121.3ºC

Refractive Index：

1.457

Vapor Pressure：

0.0133mmHg at 25°C

Computed Properties

Molecular Weight:200.23
XLogP3:1.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:200.10485899
Monoisotopic Mass:200.10485899
Topological Polar Surface Area:52.6
Heavy Atom Count:14
Complexity:200
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-1,2-Dimethyl (1S,2R)-1,2-cyclohexanedicarboxylate

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