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89334-26-9 | 5-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-4-methyl-
CAS No: 89334-26-9 Catalog No: AG003ZEY MDL No:
Product Description
Catalog Number:
AG003ZEY
Chemical Name:
5-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-4-methyl-
CAS Number:
89334-26-9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
8-acetyl-4-methyl-2,3-dihydro-1H-quinoxaline-5-carbaldehyde
InChI:
InChI=1S/C12H14N2O2/c1-8(16)10-4-3-9(7-15)12-11(10)13-5-6-14(12)2/h3-4,7,13H,5-6H2,1-2H3
InChI Key:
NMTOZMMIHBMUFB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c2c1N(C)CCN2)C(=O)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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