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165454-06-8

165454-06-8 | 3,6,11-Trioxa-9-azadodecanoic acid, 10-oxo-12-phenyl-

CAS No: 165454-06-8 Catalog No: AG001W5M MDL No:MFCD09264375

Product Description

Catalog Number:
AG001W5M
Chemical Name:
3,6,11-Trioxa-9-azadodecanoic acid, 10-oxo-12-phenyl-
CAS Number:
165454-06-8
Molecular Formula:
C14H19NO6
Molecular Weight:
297.3038
MDL Number:
MFCD09264375
IUPAC Name:
2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]acetic acid
InChI:
InChI=1S/C14H19NO6/c16-13(17)11-20-9-8-19-7-6-15-14(18)21-10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,18)(H,16,17)
InChI Key:
GWUWSVXMAZFFNT-UHFFFAOYSA-N
SMILES:
OC(=O)COCCOCCNC(=O)OCc1ccccc1

Properties

Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.121g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
297.307g/mol
Monoisotopic Mass:
297.121g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
Adenanthin targets peroxiredoxin I and II to induce differentiation of leukemic cells. Nature chemical biology 20120408

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