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29444-53-9 | Pyrazine, 2-methyl-3-phenyl-
CAS No: 29444-53-9 Catalog No: AG002YEE MDL No:
Product Description
Catalog Number:
AG002YEE
Chemical Name:
Pyrazine, 2-methyl-3-phenyl-
CAS Number:
29444-53-9
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-methyl-3-phenylpyrazine
InChI:
InChI=1S/C11H10N2/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
WNRHHXGQGRJTFX-UHFFFAOYSA-N
SMILES:
Cc1nccnc1c1ccccc1
UNII:
W6H5DV726B
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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