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4,6-Dihydroxy-2-methylpyrimidine

CAT: 0862-GK1943-10gSize: 10 gDry Ice: NoHazardous: No
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CAT#:0862-GK1943-10gSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
40497-30-1
EC Number
254-941-9
MDL Number
MFCD00006104
HS Code
2933599590
Purity
98.00%
Molecular Formula
C5H6N2O2
Molecular Weight
126.12
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

2-Methyl-4,6-pyrimidinedione
CAS Number40497-30-1
PubChem CID580924
IUPAC Name2-methyl-1H-pyrimidine-4,6-dione
Molecular FormulaC5H6N2O2
Molecular Weight126.11
XLogP-0.9
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity195
SMILES
CC1=NC(=O)CC(=O)N1
InChI
InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)
InChIKey
GNVCKXIBBIIFPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-4,6-pyrimidinedione
CAS: 40497-30-1
CID: 580924
Formula: C5H6N2O2
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass126.042927438
Monoisotopic Mass126.042927438
Topological Polar Surface Area58.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity195
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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Alternative Products

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