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1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE structure

CAS No:
25855-27-0
Formula:
C8H7N3O2
Chemical Name:
1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
Synonyms:
1-allyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile;1-Allyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;2,4-Dioxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile;2,4-dioxo-1-prop-2-enylpyrimidine-5-carbonitrile;SCHEMBL2248519;CTK4F6586;KS-00001UMJ;DTXSID50377072;ZINC168335;8546AD

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1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE Basic Attributes

Molecular Weight：

177.16

Exact Mass：

177.054

DSSTox ID：

DTXSID50377072

Characteristics

PSA：

73.2

XLogP3：

-0.2

Density：

1.32±0.1 g/cm3(Predicted)

Melting Point：

156-158°C

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:177.16
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:177.053826475
Monoisotopic Mass:177.053826475
Topological Polar Surface Area:73.2
Heavy Atom Count:13
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-ALLYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE

SDS

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