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89334-35-0 | 6-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-4-methyl-
CAS No: 89334-35-0 Catalog No: AG003YDX MDL No:
Product Description
Catalog Number:
AG003YDX
Chemical Name:
6-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-4-methyl-
CAS Number:
89334-35-0
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
8-acetyl-4-methyl-2,3-dihydro-1H-quinoxaline-6-carbaldehyde
InChI:
InChI=1S/C12H14N2O2/c1-8(16)10-5-9(7-15)6-11-12(10)13-3-4-14(11)2/h5-7,13H,3-4H2,1-2H3
InChI Key:
FRKVEQKENOUVCG-UHFFFAOYSA-N
SMILES:
O=Cc1cc2N(C)CCNc2c(c1)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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