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40790-42-9 | 2-Methyl-3-propylquinoxaline
CAS No: 40790-42-9 Catalog No: AG003API MDL No:MFCD00219914
Product Description
Catalog Number:
AG003API
Chemical Name:
2-Methyl-3-propylquinoxaline
CAS Number:
40790-42-9
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
MDL Number:
MFCD00219914
IUPAC Name:
2-methyl-3-propylquinoxaline
InChI:
InChI=1S/C12H14N2/c1-3-6-10-9(2)13-11-7-4-5-8-12(11)14-10/h4-5,7-8H,3,6H2,1-2H3
InChI Key:
LJSMYNRELBSLKT-UHFFFAOYSA-N
SMILES:
CCCc1nc2ccccc2nc1C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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