4-(3,4-dimethylphenyl)butanoic acid
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4-(3,4-dimethylphenyl)butanoic acid
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CAS No:
5465-18-9
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Formula:
C12H16O2
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Chemical Name:
4-(3,4-dimethylphenyl)butanoic acid
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Synonyms:
4-(3,4-dimethylphenyl)butanoic acid;5465-18-9;NSC28992;NSC-28992;NCI60_002380;NCIStruc1_000163;NCIStruc2_000289;SCHEMBL1453481;CHEMBL1741537;DTXSID40282964;ZINC398166;NCI28992;4-(3,4-dimethylphenyl)butyric acid;CCG-37563;MFCD00029857;NCGC00013357;AKOS009282626;MCULE-8685488359;gamma-(3,4-dimethylphenyl)butyric acid;NCGC00013357-02;NCGC00096474-01
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CAS No:
4-(3,4-dimethylphenyl)butanoic acid Basic Attributes
192.25 g/mol
192.115029749 g/mol
28992
DTXSID40282964
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:192.25
XLogP3:2.8
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:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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