2-phenylpentanoic acid
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2-phenylpentanoic acid
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CAS No:
5558-45-2
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Formula:
C11H14O2
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Chemical Name:
2-phenylpentanoic acid
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Synonyms:
2-phenylpentanoic acid;5558-45-2;NSC43696;2-Phenylvaleric acid;Enamine_005276;SCHEMBL643461;DTXSID10286070;HMS1408P18;2-phenyl-pentanoic acid, AldrichCPR;MFCD03970712;NSC-43696;SBB042600;AKOS000271073;AKOS016040124;MCULE-9053337385;NE12722;IDI1_007863;BS-13751;EN300-05233;J-510264
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CAS No:
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:178.23
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:160
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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