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5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl-

5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl- structure

CAS No:
36980-88-8
Formula:
C12H9N3O2
Chemical Name:
5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl-
Synonyms:
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl-;5-Cyano-3-methyl-1-phenyluracil

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5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl- Basic Attributes

Molecular Weight：

227.22

Exact Mass：

227.069

Characteristics

PSA：

67.79

XLogP3：

0.40788

Density：

1.38±0.1 g/cm3

Melting Point：

235 °C

Boiling Point：

351.5±45.0 °C(Predicted)

PKA：

-2.66±0.40

Computed Properties

Molecular Weight:227.22
XLogP3:0.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:227.069476538
Monoisotopic Mass:227.069476538
Topological Polar Surface Area:64.4
Heavy Atom Count:17
Complexity:426
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-METHYL-2,4-DIOXO-1-PHENYL-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBONITRILE

CAS No.: 36980-88-8

Content: 99.00%

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Guide of 5-Pyrimidinecarbonitrile,1,2,3,4-tetrahydro-3-methyl-2,4-dioxo-1-phenyl-

Basic Attributes
Characteristics
Computed Properties
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