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3-VINYLPHENYLBORONIC ACID
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ID: BP-10486
CAS:15016-43-0 Supplier:BroadPharm SMILES:[B](c1cc(C=C)ccc1)(O)O FORMULA: C8H9BO2
MASS: 147.9669
EXACT MASS: 148.0695599
INTERATOMIC DISTANCES
B 1 C 2 C 3 C 4 C 5 C 6
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B 1 0.0000
C 2 1.4301 0.0000
C 3 2.4792 1.4337 0.0000
C 4 4.9625 3.7933 2.4833 0.0000
C 5 5.1653 4.3009 2.8673 1.4333 0.0000
C 6 3.7852 2.4792 1.4301 1.4372 2.4849 0.0000
O 7 1.4333 2.4807 2.8637 5.1653 4.9625 4.2938
O 8 1.4290 2.4834 3.7902 6.2476 6.5646 4.9625
C 9 2.4807 1.4333 2.4828 4.3009 5.1687 2.8637
C 10 3.7900 2.4828 2.8667 3.7927 4.9656 2.4807
C 11 4.2938 2.8637 2.4807 2.4849 3.7937 1.4333
O 7 O 8 C 9 C 10 C 11
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O 7 0.0000
O 8 2.4704 0.0000
C 9 3.7910 2.8756 0.0000
C 10 4.9635 4.3093 1.4337 0.0000
C 11 5.1627 5.1700 2.4792 1.4301 0.0000
ATOMIC CHARGES
B 1 0.0000000000
C 2 0.0000000000
C 3 0.0000000000
C 4 0.0000000000
C 5 0.0000000000
C 6 0.0000000000
O 7 0.0000000000
O 8 0.0000000000
C 9 0.0000000000
C 10 0.0000000000
C 11 0.0000000000
BOND ANGLES
11 6 3 Car Car Car 120.077
6 3 2 Car Car Car 119.929
3 6 11 Car Car Car 120.077
6 11 10 Car Car Car 120.077
TORSION ANGLES
3 2 1 7 0.026
3 2 1 8 179.974
9 2 1 7 179.974
9 2 1 8 0.026
6 3 2 1 179.974
6 3 2 9 0.026
5 4 6 3 0.026
5 4 6 11 179.974
4 6 3 2 179.974
11 6 3 2 0.026
10 9 2 1 179.974
10 9 2 3 0.026
11 10 9 2 0.026
6 11 10 9 0.026
4 6 11 10 179.974
3 6 11 10 0.026
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