2-cyanopentanoic acid
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2-cyanopentanoic acid
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CAS No:
99839-48-2
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Formula:
C6H9NO2
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Chemical Name:
2-cyanopentanoic acid
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Synonyms:
cyanovaleric acid;2-cyanovaleric acid;2-cyanopentanoic acid;99839-48-2;NSC80744;SCHEMBL651947;CCG-40381;NSC-80744;AKOS006375443
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CAS No:
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, 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:127.14
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:127.063328530
Monoisotopic Mass:127.063328530
Topological Polar Surface Area:61.1
Heavy Atom Count:9
Complexity:144
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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