Ketcher 11152115222D 1   1.00000     0.00000     0

 14 14  0     0  0            999 V2000
   -0.6186   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474   -1.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6186    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474    0.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135    1.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1135    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6186    0.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1186    1.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474    1.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2474   -2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6187   -2.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1134   -2.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  0     0  0
 10  3  1  0     0  0
 11  4  1  0     0  0
  7  6  1  0     0  0
  8  6  1  0     0  0
  5  2  1  0     0  0
  1  2  1  0     0  0
  3  1  1  0     0  0
  3  4  1  0     0  0
  6  4  1  0     0  0
  6  5  1  0     0  0
  2 12  1  0     0  0
 12 13  1  0     0  0
 12 14  2  0     0  0
M  RAD  1  11   2
M  END
> <ID>
CHEBI:180671

> <NAME>
4-carboxy-TEMPO

> <DEFINITION>
A member of the class of aminoxyls that is TEMPO carrying a carboxy group at position 4.

> <STAR>
3

> <SYNONYM>
TEMPO carboxylic acid; 4-carboxy-TEMPO free radical; 4-carboxy-2,2,6,6-tetramethylpiperidinyloxyl; 4-carboxy-2,2,6,6-tetramethylpiperidinyloxy; 4-carboxy-2,2,6,6-tetramethylpiperidine-N-oxyl; 4-carboxy-2,2,6,6-tetramethylpiperidine-1-oxyl; 4-carboxy-2,2,6,6-tetramethylpiperidine 1-oxyl; 4-carboxy-2,2,6,6-tetramethyl-1-piperidinyloxy; 2,2,6,6-tetramethyl-4-carboxypiperidine-1-oxyl

> <IUPAC_NAME>
(4-carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl

> <FORMULA>
C10H18NO3

> <MASS>
200.255

> <MONOISOTOPIC_MASS>
200.12867

> <CHARGE>
0

> <SMILES>
CC1(C)CC(CC(C)(C)N1[O])C(O)=O

> <INCHI>
InChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)

> <INCHIKEY>
CYQGCJQJIOARKD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
37149-18-1

> <REAXYS_REGISTRY_NUMBER>
12666306

> <CHEMIDPLUS>
37149-18-1

> <NIST_CHEMISTRY_WEBBOOK>
37149-18-1

> <PUBMED_CITATION>
21781760; 24410365; 24508871; 25348929; 25363554; 2571702; 27337053; 31947792; 32440670; 3699037; 8874032

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