Cyclohexanecarboxylic acid, 2-acetyl-, (1R,2S)-rel- (9CI)
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Cyclohexanecarboxylic acid, 2-acetyl-, (1R,2S)-rel- (9CI)
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CAS No:
158430-34-3
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Formula:
C9H14O3
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Chemical Name:
Cyclohexanecarboxylic acid, 2-acetyl-, (1R,2S)-rel- (9CI)
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Synonyms:
Cyclohexanecarboxylic acid, 2-acetyl-, (1R,2S)-rel- (9CI)
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CAS No:
Characteristics
54.4
1
1.135±0.06 g/cm3(Predicted)
71-73 °C(Solv: ethyl ether (60-29-7))
314.5±35.0 °C(Predicted)
Computed Properties
Molecular Weight:170.21
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:170.094294304
Monoisotopic Mass:170.094294304
Topological Polar Surface Area:54.4
Heavy Atom Count:12
Complexity:198
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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