3-Benzoylbutyricacid
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3-Benzoylbutyricacid
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CAS No:
7315-67-5
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Formula:
C11H12O3
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Chemical Name:
3-Benzoylbutyricacid
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Synonyms:
3-Benzoylbutyric acid;3-methyl-4-oxo-4-phenylbutanoic acid;beta-methyl-gamma-oxo-gamma-phenylbutanoic acid;SCHEMBL135357;CTK9A2829;3-benzoyl-3-methyl-propionic acid;AKOS010910461;EN300-75577
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CAS No:
Safety Information
|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:192.21
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:192.078644241
Monoisotopic Mass:192.078644241
Topological Polar Surface Area:54.4
Heavy Atom Count:14
Complexity:217
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes