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Technical Information
Properties
Literature
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Technical Information
Catalog Number:
AA0073Z5
Chemical Name:
4-(Quinoxalin-2-yl)butane-1,2,3-triol
CAS Number:
42015-38-3
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD07369681
SMILES:
OCC(C(Cc1cnc2c(n1)cccc2)O)O
Properties
Computed Properties
Complexity:
240
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Rotatable Bond Count:
4
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
Title: Naofumi Morita, et al. Gas-liquid chromatography and mass spectrometry of quinoxalines derived from various homoglucans by alkaline o-phenylenediamine method. Agric. Biol. Chem., 47 (4), 757-763, 1983.