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

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

CAS No:
111955-05-6
Formula:
C9H14O4
Chemical Name:
rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate
Synonyms:
1,2-Cyclohexanedicarboxylic acid,1-methyl ester,(1R,2S)-rel-;1,2-Cyclohexanedicarboxylic acid,monomethyl ester,cis-(±)-;1,2-Cyclohexanedicarboxylic acid,monomethyl ester,(1R,2S)-rel-;rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate;1,2-Cyclohexanedicarboxylic acid,monomethyl ester,cis-;cis-2-Carbomethoxycyclohexanecarboxylic acid;NSC 53943;2778-62-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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

Molecular Weight：

186.21

Exact Mass：

186.21

NSC Number：

53943

DSSTox ID：

DTXSID50288053|DTXSID70641343|DTXSID10706006

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

1.2

Density：

1.191±0.06 g/cm3(Predicted)

Melting Point：

68-69 °C

Boiling Point：

82 °C @ Press: 0.5 Torr

Flash Point：

118.3ºC

Refractive Index：

1.484

Vapor Pressure：

0.000219mmHg at 25°C

Computed Properties

Molecular Weight:186.20
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:186.08920892
Monoisotopic Mass:186.08920892
Topological Polar Surface Area:63.6
Heavy Atom Count:13
Complexity:212
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

13866-27-8

149564-35-2

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CAS No.: 111955-05-6

Grade: Industrial Grade

Content: 99%

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

Basic Attributes
Characteristics
Computed Properties
Synthesis Route
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rel-1-Methyl (1R,2S)-1,2-cyclohexanedicarboxylate

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