CHOLIC-2,2,4,4-D4 ACID
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CHOLIC-2,2,4,4-D4 ACID
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CAS No:
116380-66-6
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Formula:
C24H36D4O5
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Chemical Name:
CHOLIC-2,2,4,4-D4 ACID
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Synonyms:
Cholic-d4 Acid;Cholic acid-2,2,4,4-d
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CAS No:
Characteristics
97.99000
2.62
1.2±0.1 g/cm3
200-201°C (lit.)
583.9±50.0 °C at 760 mmHg
321.0±26.6 °C
1.558
Computed Properties
Molecular Weight:412.6
XLogP3:3.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:412.31268136
Monoisotopic Mass:412.31268136
Topological Polar Surface Area:98
Heavy Atom Count:29
Complexity:637
Isotope Atom Count:4
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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