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1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)

1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) structure

CAS No:
2139-25-5
Formula:
C16H20N2O2.¹/2C6H8O7
Chemical Name:
1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)
Synonyms:
1-Piperidineethanol,α-(5-phenyl-3-isoxazolyl)-,2-hydroxy-1,2,3-propanetricarboxylate (2:1);1-Piperidineethanol,α-(5-phenyl-3-isoxazolyl)-,citrate (2:1);1-Piperidineethanol,α-(5-phenyl-3-isoxazolyl)-,2-hydroxy-1,2,3-propanetricarboxylate (2:1) (salt);1-Piperidineethanol,α-(5-phenyl-3-isoxazolyl)-,citrate;31252S;Perisoxal citrate;Isoxal

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1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1) Basic Attributes

Molecular Weight：

736.8 g/mol

Exact Mass：

736.33195836 g/mol

DSSTox ID：

DTXSID8048816

Characteristics

PSA：

231 Å²

Melting Point：

135-145 °C

Computed Properties

Molecular Weight:464.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:9
Exact Mass:464.17948047
Monoisotopic Mass:464.17948047
Topological Polar Surface Area:182
Heavy Atom Count:33
Complexity:516
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1-Piperidineethanol, α-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)

Basic Attributes
Characteristics
Computed Properties

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