COMPOUND: C15997
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Entry
C15997 Compound
Name
Potassium 2,6-dihydroxytriazinecarboxylate;
Potassium oxonate;
Oteracil potassium
Formula
C4H2N3O4. K
Exact mass
194.9682
Mol weight
195.1747
Structure
Mol file
KCF file
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CAS:
2207-75-2
PubChem:
47205308
ChEBI:
80230
NIKKAJI:
J42.695D
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KCF data
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ATOM 12
1 C8y C 21.6985 -20.2981
2 N4x N 21.6985 -21.6979
3 C8y C 22.9108 -22.3978
4 N5x N 24.1231 -21.6979
5 C8y C 24.1231 -20.2981
6 N4x N 22.9108 -19.5982
7 O5x O 22.9108 -23.7974
8 O5x O 20.4863 -19.5982
9 C6a C 25.3541 -19.5872
10 O6a O 26.5591 -20.2828
11 O6a O 25.3538 -18.1985 #-
12 Z K 26.7379 -16.1686 #+
BOND 11
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 3 7 2
8 1 8 2
9 5 9 1
10 9 10 2
11 9 11 1
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