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113477-56-8 | Quinoxaline, 2-methyl-3-(2-propyn-1-yl)-
CAS No: 113477-56-8 Catalog No: AG0008PK MDL No:
Product Description
Catalog Number:
AG0008PK
Chemical Name:
Quinoxaline, 2-methyl-3-(2-propyn-1-yl)-
CAS Number:
113477-56-8
Molecular Formula:
C12H10N2
Molecular Weight:
182.2212
IUPAC Name:
2-methyl-3-prop-2-ynylquinoxaline
InChI:
InChI=1S/C12H10N2/c1-3-6-10-9(2)13-11-7-4-5-8-12(11)14-10/h1,4-5,7-8H,6H2,2H3
InChI Key:
UHINUTOLDSZDSW-UHFFFAOYSA-N
SMILES:
C#CCc1nc2ccccc2nc1C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.226g/mol
Monoisotopic Mass:
182.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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