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3-Methylpyrazin-2-ol

CAT: 0127-OR302157-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR302157-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19838-07-4
MDL Number
MFCD01646120
Purity
98%
Smiles
Cc1nccnc1O

Chemical Information

2-Hydroxy-3-methylpyrazine
CAS Number19838-07-4
PubChem CID88276
IUPAC Name3-methyl-1H-pyrazin-2-one
Molecular FormulaC5H6N2O
Molecular Weight110.11
XLogP-0.7
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity169
SMILES
CC1=NC=CNC1=O
InChI
InChI=1S/C5H6N2O/c1-4-5(8)7-3-2-6-4/h2-3H,1H3,(H,7,8)
InChIKey
LDQRWMQHTORUIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-methylpyrazine
CAS: 19838-07-4
CID: 88276
Formula: C5H6N2O
MW: 110.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.11
XLogP3-0.7
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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