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4,6-Dihydroxypyrimidine

CAT: 0931-TYD-00278Size: 100 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00278Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1193-24-4
Bioactivity
4,6-Dihydroxypyrimidine is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
OC1=CC(O)=NC=N1
Molecular Formula
C4H4N2O2
Molecular Weight
112.0868
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Hydroxy-4-pyrimidinone

4,6-dihydroxypyrimidine is a hydroxypyrimidine.

CAS Number1193-24-4
PubChem CID14512
IUPAC Name4-hydroxy-1H-pyrimidin-6-one
Molecular FormulaC4H4N2O2
Molecular Weight112.09
XLogP-0.9
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity171
SMILES
C1=C(N=CNC1=O)O
InChI
InChI=1S/C4H4N2O2/c7-3-1-4(8)6-2-5-3/h1-2H,(H2,5,6,7,8)
InChIKey
DUFGYCAXVIUXIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxy-4-pyrimidinone
CAS: 1193-24-4
CID: 14512
Formula: C4H4N2O2
MW: 112.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.09
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass112.027277375
Monoisotopic Mass112.027277375
Topological Polar Surface Area61.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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