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16731-49-0 | Pyrazine, 2-heptyl-6-nonyl-
CAS No: 16731-49-0 Catalog No: AG001XB2 MDL No:
Product Description
Catalog Number:
AG001XB2
Chemical Name:
Pyrazine, 2-heptyl-6-nonyl-
CAS Number:
16731-49-0
Molecular Formula:
C20H36N2
Molecular Weight:
304.5132
IUPAC Name:
2-heptyl-6-nonylpyrazine
InChI:
InChI=1S/C20H36N2/c1-3-5-7-9-10-12-14-16-20-18-21-17-19(22-20)15-13-11-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
GDMIFVPJBCEEMX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cncc(n1)CCCCCCC
NSC Number:
77287
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.288g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.522g/mol
Monoisotopic Mass:
304.288g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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