CAS
912331-27-2 Purity
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912331-27-2 Purity
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4-Pyrimidinamine,3-oxide(9ci)
CAS
91233-76-0
Catalog Number
ACM91233760
Category
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- Synthetic Use
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What is the molecular formula of 4-Pyrimidinamine,3-oxide(9ci)?
The molecular formula is C4H5N3O.
What is the molecular weight of 4-Pyrimidinamine,3-oxide(9ci)?
The molecular weight is 111.10 g/mol.
What is the IUPAC name of 4-Pyrimidinamine,3-oxide(9ci)?
The IUPAC name is 3-hydroxypyrimidin-4-imine.
What is the InChI of 4-Pyrimidinamine,3-oxide(9ci)?
The InChI is InChI=1S/C4H5N3O/c5-4-1-2-6-3-7(4)8/h1-3,5,8H.
What is the InChIKey of 4-Pyrimidinamine,3-oxide(9ci)?
The InChIKey is YXZXLNBCIDIPRJ-UHFFFAOYSA-N.
What is the canonical SMILES of 4-Pyrimidinamine,3-oxide(9ci)?
The canonical SMILES is C1=CN=CN(C1=N)O.
What is the XLogP3-AA property value of 4-Pyrimidinamine,3-oxide(9ci)?
The XLogP3-AA property value is -0.9.
How many hydrogen bond donor counts does 4-Pyrimidinamine,3-oxide(9ci) have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 4-Pyrimidinamine,3-oxide(9ci)?
The topological polar surface area is 59.7 Å2.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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