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138472-87-4 | Pyrazine, 2-[4-[(6-methylnonyl)oxy]phenyl]-5-octyl-
CAS No: 138472-87-4 Catalog No: AG00198S MDL No:
Product Description
Catalog Number:
AG00198S
Chemical Name:
Pyrazine, 2-[4-[(6-methylnonyl)oxy]phenyl]-5-octyl-
CAS Number:
138472-87-4
Molecular Formula:
C28H44N2O
Molecular Weight:
424.6618
IUPAC Name:
2-[4-(6-methylnonoxy)phenyl]-5-octylpyrazine
InChI:
InChI=1S/C28H44N2O/c1-4-6-7-8-9-12-16-26-22-30-28(23-29-26)25-17-19-27(20-18-25)31-21-13-10-11-15-24(3)14-5-2/h17-20,22-24H,4-16,21H2,1-3H3
InChI Key:
FAWIHKSXUBXQMW-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cnc(cn1)c1ccc(cc1)OCCCCCC(CCC)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.345g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.673g/mol
Monoisotopic Mass:
424.345g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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