Benzenebutanoic acid, 3-chloro-4-cyclohexyl-γ-oxo-, calcium salt (2:1)
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Benzenebutanoic acid, 3-chloro-4-cyclohexyl-γ-oxo-, calcium salt (2:1)
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CAS No:
32808-53-0
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Formula:
C16H19ClO3.1/2Ca
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Chemical Name:
Benzenebutanoic acid, 3-chloro-4-cyclohexyl-γ-oxo-, calcium salt (2:1)
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Synonyms:
Benzenebutanoic acid,3-chloro-4-cyclohexyl-γ-oxo-,calcium salt (2:1);Benzenebutanoic acid,3-chloro-4-cyclohexyl-γ-oxo-,calcium salt;Propionic acid,3-(3-chloro-4-cyclohexylbenzoyl)-,calcium salt;Bucloxic acid calcium salt;Calcium bucloxate;CB 804
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CAS No:
Benzenebutanoic acid, 3-chloro-4-cyclohexyl-γ-oxo-, calcium salt (2:1) Basic Attributes
627.60864
626.151485 g/mol
251-232-6
TM91R7KYOT
Characteristics
114 Ų
LD50 in male, female mice, rats (mg/kg): 1558, 1697, 195, 600-900 i.p.; 852, 1656, 176, 649 orally (Mauzé)
Computed Properties
Molecular Weight:627.6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:626.1514851
Monoisotopic Mass:626.1514851
Topological Polar Surface Area:114
Heavy Atom Count:41
Complexity:344
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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