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113902-27-5 | Pyrazine, 2,3,5-trimethyl-6-(phenylmethoxy)-
CAS No: 113902-27-5 Catalog No: AG000A1U MDL No:
Product Description
Catalog Number:
AG000A1U
Chemical Name:
Pyrazine, 2,3,5-trimethyl-6-(phenylmethoxy)-
CAS Number:
113902-27-5
Molecular Formula:
C14H16N2O
Molecular Weight:
228.2896
IUPAC Name:
2,3,5-trimethyl-6-phenylmethoxypyrazine
InChI:
InChI=1S/C14H16N2O/c1-10-11(2)16-14(12(3)15-10)17-9-13-7-5-4-6-8-13/h4-8H,9H2,1-3H3
InChI Key:
RRCRZTCWGKKALP-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(nc1OCc1ccccc1)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.126g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.295g/mol
Monoisotopic Mass:
228.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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