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15986-81-9 | Pyrazine, 2-methyl-3-(1-methylethyl)-
CAS No: 15986-81-9 Catalog No: AG001RH4 MDL No:
Product Description
Catalog Number:
AG001RH4
Chemical Name:
Pyrazine, 2-methyl-3-(1-methylethyl)-
CAS Number:
15986-81-9
Molecular Formula:
C8H12N2
Molecular Weight:
136.1943
IUPAC Name:
2-methyl-3-propan-2-ylpyrazine
InChI:
InChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
InChI Key:
LNSYLBDZKBWDNL-UHFFFAOYSA-N
SMILES:
CC(c1nccnc1C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.198g/mol
Monoisotopic Mass:
136.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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