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113685-85-1 | Pyrazine, 2-pentyl-3-phenoxy-
CAS No: 113685-85-1 Catalog No: AG0009BT MDL No:
Product Description
Catalog Number:
AG0009BT
Chemical Name:
Pyrazine, 2-pentyl-3-phenoxy-
CAS Number:
113685-85-1
Molecular Formula:
C15H18N2O
Molecular Weight:
242.3162
IUPAC Name:
2-pentyl-3-phenoxypyrazine
InChI:
InChI=1S/C15H18N2O/c1-2-3-5-10-14-15(17-12-11-16-14)18-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3
InChI Key:
CVVZUDIKWBFQQX-UHFFFAOYSA-N
SMILES:
CCCCCc1nccnc1Oc1ccccc1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.322g/mol
Monoisotopic Mass:
242.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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