1,2,3,4-Butanetetrol, 1-(2-quinoxalinyl)-


Chemical Name: 1,2,3,4-Butanetetrol, 1-(2-quinoxalinyl)-
CAS Number: 80840-09-1
Product Number: AG008LOU(AGN-PC-0547H3)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O4
Molecular Weight: 250.2506

Identification/Properties


Computed Properties
Molecular Weight:
250.254g/mol
XLogP3:
-1.5
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
250.095g/mol
Monoisotopic Mass:
250.095g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
267
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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