Cyclopentobarbital
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Cyclopentobarbital
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CAS No:
76-68-6
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Formula:
C12H14N2O3
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Chemical Name:
Cyclopentobarbital
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Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-cyclopenten-1-yl)-5-(2-propen-1-yl)-;Barbituric acid,5-allyl-5-(2-cyclopenten-1-yl)-;2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(2-cyclopenten-1-yl)-5-(2-propenyl)-;5-(2-Cyclopenten-1-yl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione;5-Allyl-5-(2-cyclopenten-1-yl)barbituric acid;Cyclopal;Cyclopen;Cyclopentenylallylbarbituric acid;Cyclopentobarbital;5-Allyl-5-(1-cyclopentenyl-2)barbituric acid;Allylpental;Allylcyclopentenylbarbital;Cyclopental;Ciclopal;Dormisan;Cyclopentobarbitone;129625-26-9
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CAS No:
Safety Information
III
6.1(b)
3249
P264, P270, P301+P310, P321, P330, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:234.25
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:234.10044231
Monoisotopic Mass:234.10044231
Topological Polar Surface Area:75.3
Heavy Atom Count:17
Complexity:406
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes