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Acetylenedicarboxylic acid monopotassium salt |
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ID: API-42838 CAS:928-04-1 Supplier:APIchem SMILES:[K+].[O-]C(=O)C#CC(=O)O ChemMol.com FORMULA: C4HKO4
MASS: 152.1466
EXACT MASS: 151.9511902
INTERATOMIC DISTANCES
K 1 O 2 O 3 O 4 O 5 C 6
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K 1 0.0000
O 2 1.0000 0.0000
O 3 5.2915 4.3590 0.0000
O 4 2.0000 1.7321 4.0000 0.0000
O 5 5.0000 4.0000 1.7321 4.3589 0.0000
C 6 1.7321 1.0001 3.6055 1.0000 3.6055 0.0000
C 7 2.6458 1.7321 2.6458 1.7320 2.6457 1.0000
C 8 4.5826 3.6055 1.0001 3.6055 1.0000 2.9999
C 9 3.6055 2.6458 1.7321 2.6457 1.7320 2.0000
H 10 5.8809 4.9340 0.6200 4.6200 1.8397 4.2100
C 7 C 8 C 9 H 10
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C 7 0.0000
C 8 2.0000 0.0000
C 9 1.0000 1.0000 0.0000
H 10 3.2380 1.4158 2.2901 0.0000
ATOMIC CHARGES
K 1 0.0000000000
O 2 -0.5000000000
O 3 0.0000000000
O 4 -0.5000000000
O 5 0.0000000000
C 6 0.0000000000
C 7 0.0000000000
C 8 0.0000000000
C 9 0.0000000000
H 10 0.0000000000
BOND ANGLES
10 3 8 HO O3 C2 120.000
3 8 9 O3 C2 C1 120.001
8 3 10 C2 O3 HO 120.000
TORSION ANGLES
10 3 8 5 0.026
10 3 8 9 179.974
2 6 7 9 0.026
4 6 7 9 179.974
6 7 9 8 179.974
3 8 9 7 0.026
5 8 9 7 179.974
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