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2-Methyl-3-phenylpyrazine

CAT: 0572-TRC-M356433-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M356433-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
29444-53-9
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cc1nccnc1c2ccccc2
Molecular Formula
C11H10N2
Molecular Weight
170.21
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methyl-3-phenylpyrazine
CAS Number29444-53-9
PubChem CID12568828
IUPAC Name2-methyl-3-phenylpyrazine
Molecular FormulaC11H10N2
Molecular Weight170.21
XLogP1.8
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity152
SMILES
CC1=NC=CN=C1C2=CC=CC=C2
InChI
InChI=1S/C11H10N2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKey
WNRHHXGQGRJTFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methyl-3-phenylpyrazine
CAS: 29444-53-9
CID: 12568828
Formula: C11H10N2
MW: 170.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.21
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.084398327
Monoisotopic Mass170.084398327
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity152
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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