3-Butene-1,2-diol,4-(2-quinoxalinyl)-, [S-(E)]- (9CI)


Chemical Name: 3-Butene-1,2-diol,4-(2-quinoxalinyl)-, [S-(E)]- (9CI)
CAS Number: 127196-36-5
Product Number: AG000WQS(AGN-PC-0PIGSN)
Synonyms:
MDL No:
Molecular Formula: C12H12N2O2
Molecular Weight: 216.2359

Identification/Properties


Computed Properties
Molecular Weight:
216.24g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
216.09g/mol
Monoisotopic Mass:
216.09g/mol
Topological Polar Surface Area:
66.2A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
245
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback