4-cyano-2,2-dimethylbutanoic acid
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4-cyano-2,2-dimethylbutanoic acid
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CAS No:
6939-69-1
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Formula:
C7H11NO2
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Chemical Name:
4-cyano-2,2-dimethylbutanoic acid
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Synonyms:
4-cyano-2,2-dimethylbutanoic acid;6939-69-1;NSC57753;Butanoic acid,4-cyano-2,2-dimethyl-;SCHEMBL2226469;DTXSID80288829;ZINC1688221;NSC-57753;AKOS006375534
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CAS No:
4-cyano-2,2-dimethylbutanoic acid Basic Attributes
141.17 g/mol
141.078978594 g/mol
57753
DTXSID80288829
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:141.17
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:141.078978594
Monoisotopic Mass:141.078978594
Topological Polar Surface Area:61.1
Heavy Atom Count:10
Complexity:175
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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