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2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile structure

CAS No:
88735-45-9
Formula:
C14H8N2O2S
Chemical Name:
2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile
Synonyms:
NSC684978;[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile;88735-45-9;(4-(2-Oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl)acetonitrile;Oprea1_120053;Oprea1_554726;MLS000712875;CHEMBL1527254;HMS2666O06;ZINC325076;(2-cyanomethylthiazol-4-yl)coumarin;STL353017;AKOS001586469;MCULE-2005191572;NSC-684978;NCI60_030559;SMR000282642;SR-01000390208;2-[4-(2-oxochromen-3-yl)thiazol-2-yl]acetonitrile;SR-01000390208-1;2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

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2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile Basic Attributes

Molecular Weight：

268.29 g/mol

Exact Mass：

268.03064868 g/mol

NSC Number：

684978

Characteristics

PSA：

91.2 Å²

XLogP3：

2.98258

Melting Point：

157 - 159 °C

Water Solubility：

5.4 [ug/mL]

Computed Properties

Molecular Weight:268.29
XLogP3:2.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:268.03064868
Monoisotopic Mass:268.03064868
Topological Polar Surface Area:91.2
Heavy Atom Count:19
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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