4-quinoxalin-2-ylbutane-1,2,3-triol


Chemical Name: 4-quinoxalin-2-ylbutane-1,2,3-triol
CAS Number: 42015-38-3
Product Number: AG00741X(AGN-PC-000ZJ7)
Synonyms:
MDL No:
Molecular Formula: C12H14N2O3
Molecular Weight: 234.2512

Identification/Properties


Computed Properties
Molecular Weight:
234.255g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
234.1g/mol
Monoisotopic Mass:
234.1g/mol
Topological Polar Surface Area:
86.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
240
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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