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89334-29-2 | 6-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-
CAS No: 89334-29-2 Catalog No: AG003ZEX MDL No:
Product Description
Catalog Number:
AG003ZEX
Chemical Name:
6-Quinoxalinecarboxaldehyde, 8-acetyl-1,2,3,4-tetrahydro-
CAS Number:
89334-29-2
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
8-acetyl-1,2,3,4-tetrahydroquinoxaline-6-carbaldehyde
InChI:
InChI=1S/C11H12N2O2/c1-7(15)9-4-8(6-14)5-10-11(9)13-3-2-12-10/h4-6,12-13H,2-3H2,1H3
InChI Key:
XAPYNIKKJJJDPT-UHFFFAOYSA-N
SMILES:
O=Cc1cc2NCCNc2c(c1)C(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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