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2-Methoxypyrimidin-5-ol

CAT: 0926-RDA23370-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-RDA23370-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91233-70-4
MDL Number
MFCD10696950
Smiles
COC1=NC=C (C=N1) O
Molecular Formula
C5H6N2O2
Molecular Weight
126.11 g/mol
Controlled
No

Chemical Information

2-Methoxypyrimidin-5-ol
CAS Number91233-70-4
PubChem CID13302366
IUPAC Name2-methoxypyrimidin-5-ol
Molecular FormulaC5H6N2O2
Molecular Weight126.11
XLogP0.2
Topological Polar Surface Area55.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity81
SMILES
COC1=NC=C(C=N1)O
InChI
InChI=1S/C5H6N2O2/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKey
PCZQRJXEHGOEJL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxypyrimidin-5-ol
CAS: 91233-70-4
CID: 13302366
Formula: C5H6N2O2
MW: 126.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight126.11
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass126.042927438
Monoisotopic Mass126.042927438
Topological Polar Surface Area55.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity81
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