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113929-51-4 | Pyrazine, 2,3,5-trimethyl-6-propoxy-
CAS No: 113929-51-4 Catalog No: AG000A2Z MDL No:
Product Description
Catalog Number:
AG000A2Z
Chemical Name:
Pyrazine, 2,3,5-trimethyl-6-propoxy-
CAS Number:
113929-51-4
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
IUPAC Name:
2,3,5-trimethyl-6-propoxypyrazine
InChI:
InChI=1S/C10H16N2O/c1-5-6-13-10-9(4)11-7(2)8(3)12-10/h5-6H2,1-4H3
InChI Key:
NCOKKVFLENAGGE-UHFFFAOYSA-N
SMILES:
CCCOc1nc(C)c(nc1C)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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