3,3-dimethyl-4-phenylbutanoic acid
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3,3-dimethyl-4-phenylbutanoic acid
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CAS No:
13540-66-4
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Formula:
C12H16O2
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Chemical Name:
3,3-dimethyl-4-phenylbutanoic acid
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Synonyms:
3,3-dimethyl-4-phenylbutanoic acid;13540-66-4;3,3-dimethyl-4-phenyl-butanoic acid;NSC245095;SCHEMBL473504;DTXSID10311735;ZINC1765721;AKOS017514765;NSC-245095;DS-004623
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CAS No:
3,3-dimethyl-4-phenylbutanoic acid Basic Attributes
192.25 g/mol
192.115029749 g/mol
245095
DTXSID10311735
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:192.25
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:191
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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