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5-Methoxyuracil

CAT: 0127-OR480522-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR480522-01Size:5 g
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CAS Number
6623-81-0
MDL Number
MFCD03428618
Purity
96%
Smiles
COC1=CNC(=O)NC1=O

Chemical Information

5-Methoxyuracil
CAS Number6623-81-0
PubChem CID81100
IUPAC Name5-methoxy-1H-pyrimidine-2,4-dione
Molecular FormulaC5H6N2O3
Molecular Weight142.11
XLogP-0.8
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity209
SMILES
COC1=CNC(=O)NC1=O
InChI
InChI=1S/C5H6N2O3/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKey
KELXHQACBIUYSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methoxyuracil
CAS: 6623-81-0
CID: 81100
Formula: C5H6N2O3
MW: 142.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight142.11
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass142.03784206
Monoisotopic Mass142.03784206
Topological Polar Surface Area67.4 Ų
Heavy Atom Count10
Formal Charge0
Complexity209
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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FM11934-015-Methoxyuracil
AR-U01068-012-Methyl-5-methoxyuracil
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GTR19214510-015-Methoxyuracil-1-yl acetic acid
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TNU1057-015-Methoxyuracil-1-yl acetic acid methyl ester
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