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25594-62-1 | 1-(Quinoxalin-2-yl);ethanone
CAS No: 25594-62-1 Catalog No: AG003GBK MDL No:MFCD07808559
Product Description
Catalog Number:
AG003GBK
Chemical Name:
1-(Quinoxalin-2-yl);ethanone
CAS Number:
25594-62-1
Molecular Formula:
C10H8N2O
Molecular Weight:
172.1833
MDL Number:
MFCD07808559
IUPAC Name:
1-quinoxalin-2-ylethanone
InChI:
InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChI Key:
SWGILLQQUULMJB-UHFFFAOYSA-N
SMILES:
CC(=O)c1cnc2c(n1)cccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.187g/mol
Monoisotopic Mass:
172.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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