 Home > Encyclopedia > sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile

sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile

sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile structure

CAS No:
53736-52-0
Formula:
C20H14N5NaO5
Chemical Name:
sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile
Synonyms:
Sodium butyrate-4-13C; SODIUM 1-(4-CYANOPHENOXY)-2-HYDROXY-3-[2-(5-1H-TETRAZOLYL)CHROMON-5-YLOXY]-PROPANE; Butyric-4-13C acid sodium salt; sodium [U-(13)C]butyrate;

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sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile Basic Attributes

Molecular Weight：

427.34500

Exact Mass：

427.08926285

Characteristics

PSA：

144.21000

XLogP3：

1.28528

Boiling Point：

574.6ºC at 760 mmHg

Flash Point：

301.3ºC

Computed Properties

Molecular Weight:427.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:427.08926285
Monoisotopic Mass:427.08926285
Topological Polar Surface Area:128
Heavy Atom Count:31
Complexity:693
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of sodium,4-[2-hydroxy-3-[4-oxo-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)chromen-5-yl]oxypropoxy]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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