3-tert-butyl-1,4-dihydropyrazol-5-one
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3-tert-butyl-1,4-dihydropyrazol-5-one
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CAS No:
29211-68-5
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Formula:
C7H12N2O
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Chemical Name:
3-tert-butyl-1,4-dihydropyrazol-5-one
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Synonyms:
5-tert-Butyl-2,4-dihydro-3H-pyrazol-3-one; 3-tert-Butyl-2-pyrazolin-5-one;
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CAS No:
3-tert-butyl-1,4-dihydropyrazol-5-one Basic Attributes
140.18300
140.094963011 g/mol
DTXSID10334343
2933199090
Safety Information
S22-S24/25
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:140.18
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.094963011
Monoisotopic Mass:140.094963011
Topological Polar Surface Area:41.5
Heavy Atom Count:10
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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