CAS
98-57-7 Purity
>98.0%(GC)
98-57-7 Purity
>98.0%(GC)
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2-(Carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
CAS
985-84-2
Catalog Number
ACM985842
Category
Other Products
Molecular Weight
448.466 g/mol
Molecular Formula
C22H28N2O8
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Specification
Synonyms
CID13799, 3-(2-Piperidinoethyl)-5-phenylisoxazole citrate, LS-86697, ISOXAZOLE, 5-PHENYL-3-(2-PIPERIDINOETHYL)-, CITRATE, 985-84-2
IUPAC Name
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; 5-phenyl-3-(2-piperidin-1-ium-1-ylethyl)-1,2-oxazole
Canonical SMILES
C1CC[NH+](CC1)CCC2=NOC(=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
InChI Key
PVXAECMKNYIEOD-UHFFFAOYSA-N
Boiling Point
398.5ºC at 760 mmHg
Flash Point
194.8ºC
Exact Mass
448.18500
H-Bond Acceptor
9
H-Bond Donor
4
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