3-(4-methylphenyl)butanoic acid
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3-(4-methylphenyl)butanoic acid
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CAS No:
39027-57-1
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Formula:
C11H14O2
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Chemical Name:
3-(4-methylphenyl)butanoic acid
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Synonyms:
3-(4-methylphenyl)butanoic acid;39027-57-1;Curcumic acid;NSC 112676;Benzenepropanoic acid, beta,4-dimethyl-;3-p-tolyl-butyric acid;3-(p-Tolyl)butanoic acid;SCHEMBL7559049;DTXSID20961306;NSC112676;AKOS009220615;MCULE-8428341971;NSC-112676;4093-55-4;DS-013849;AE-562/40987650;A1-08290;58526-36-6
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CAS No:
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:178.23
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:169
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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