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2-Methyltetrahydrofuran |
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ID: CHH12012 CAS:96-47-9 Supplier:ChemiK Co.,Ltd. SMILES:O1C(CCC1)C FORMULA: C5H10O
MASS: 86.1323
EXACT MASS: 86.0731649
INTERATOMIC DISTANCES
O 1 C 2 C 3 C 4 C 5 C 6
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O 1 0.0000
C 2 0.8937 0.0000
C 3 1.4461 0.8938 0.0000
C 4 1.4461 1.4462 0.8937 0.0000
C 5 0.8937 1.4462 1.4462 0.8938 0.0000
C 6 1.5927 0.8937 1.5927 2.3127 2.3127 0.0000
ATOMIC CHARGES
O 1 -0.3562470678
C 2 0.1153885123
C 3 0.0321267768
C 4 0.0345601474
C 5 0.1421302935
C 6 0.0320413378
BOND ANGLES
5 1 2 C3 O3 C3 108.011
1 2 3 O3 C3 C3 107.992
1 2 6 O3 C3 C3 126.006
6 2 3 C3 C3 C3 126.002
2 3 4 C3 C3 C3 108.001
2 1 5 C3 O3 C3 108.011
3 2 6 C3 C3 C3 126.002
TORSION ANGLES
5 1 2 3 0.026
5 1 2 6 179.974
1 2 3 4 0.026
6 2 3 4 179.974
2 3 4 5 0.026
3 4 5 1 0.026
2 1 5 4 0.026
CHIRAL ATOMS
C 2 is chiral: counterclockwise
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