pyridin-1-ium-2-ylmethyl 2-phenylbutanoate;chloride
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pyridin-1-ium-2-ylmethyl 2-phenylbutanoate;chloride
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CAS No:
42023-67-6
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Formula:
C16H18ClNO2
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Chemical Name:
pyridin-1-ium-2-ylmethyl 2-phenylbutanoate;chloride
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Synonyms:
42023-67-6;F 1172;Benzeneacetic acid, alpha-ethyl-, 2-pyridylmethyl ester hydrochloride;2-Pyridylmethyl alpha-phenylbutyrate hydrochloride;Methanol, 2-pyridyl-, alpha-phenylbutyrate, hydrochloride;BUTYRIC ACID, alpha-PHENYL-, 2-PYRIDYLMETHYL ESTER, HYDROCHLORIDE
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CAS No:
Computed Properties
Molecular Weight:291.77
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:291.1026065
Monoisotopic Mass:291.1026065
Topological Polar Surface Area:40.4
Heavy Atom Count:20
Complexity:274
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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