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3225-26-1 | 4-BENZOYLOXY-TEMPO
CAS No: 3225-26-1 Catalog No: AG003KSO MDL No:MFCD00075563
Product Description
Catalog Number:
AG003KSO
Chemical Name:
4-BENZOYLOXY-TEMPO
CAS Number:
3225-26-1
Molecular Formula:
C16H22NO3
Molecular Weight:
276.3508
MDL Number:
MFCD00075563
IUPAC Name:
(1-λ1-oxidanyl-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
InChI:
InChI=1S/C16H22NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3
InChI Key:
MJEDTBDGYVATPI-UHFFFAOYSA-N
SMILES:
[O]N1C(C)(C)CC(CC1(C)C)OC(=O)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.16g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.356g/mol
Monoisotopic Mass:
276.16g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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