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2-Hydroxy-6-methylpyrazine

CAT: 0127-OR40069-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR40069-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20721-18-0
Synonyms
6-Methylpyrazin-2-ol
MDL Number
MFCD08705761
Purity
95%
Smiles
Cc1cncc(O)n1

Chemical Information

6-Methylpyrazin-2-ol
CAS Number20721-18-0
PubChem CID285725
IUPAC Name6-methyl-1H-pyrazin-2-one
Molecular FormulaC5H6N2O
Molecular Weight110.11
XLogP-0.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity169
SMILES
CC1=CN=CC(=O)N1
InChI
InChI=1S/C5H6N2O/c1-4-2-6-3-5(8)7-4/h2-3H,1H3,(H,7,8)
InChIKey
KXUOIHWSSNTEPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methylpyrazin-2-ol
CAS: 20721-18-0
CID: 285725
Formula: C5H6N2O
MW: 110.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.11
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass110.048012819
Monoisotopic Mass110.048012819
Topological Polar Surface Area41.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity169
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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