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157231-41-9 | 1,2,3-Butanetriol, 4-benzo[g]quinoxalin-2-yl-, [S-(R*,S*)]- (9CI)
CAS No: 157231-41-9 Catalog No: AG001PAL MDL No:
Product Description
Catalog Number:
AG001PAL
Chemical Name:
1,2,3-Butanetriol, 4-benzo[g]quinoxalin-2-yl-, [S-(R*,S*)]- (9CI)
CAS Number:
157231-41-9
IUPAC Name:
(2R,3S)-4-benzo[g]quinoxalin-3-ylbutane-1,2,3-triol
InChI:
InChI=1S/C16H16N2O3/c19-9-16(21)15(20)7-12-8-17-13-5-10-3-1-2-4-11(10)6-14(13)18-12/h1-6,8,15-16,19-21H,7,9H2/t15-,16+/m0/s1
InChI Key:
UYVCNKANYYHWRW-JKSUJKDBSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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