|
3-methyl-3-oxetanemethanol |
|
|
|
ID: B184418 CAS:3143-02-0 Supplier:BEYOND PHARMATECH CORPORATION LIMITED SMILES:C1(COC1)(CO)C FORMULA: C5H10O2
MASS: 102.1317
EXACT MASS: 102.0680796
INTERATOMIC DISTANCES
C 1 O 2 C 3 C 4 C 5 C 6
------------------------------------------------------------------
C 1 0.0000
O 2 1.0500 0.0000
C 3 0.7484 0.7484 0.0000
C 4 0.7425 0.7425 1.0583 0.0000
C 5 0.7366 1.6576 1.4849 1.0500 0.0000
C 6 0.7484 1.6628 1.0500 1.4908 1.0500 0.0000
O 7 1.1639 1.6650 1.8175 0.9228 0.7396 1.7287
O 7
-----------
O 7 0.0000
ATOMIC CHARGES
C 1 0.0852400776
O 2 -0.3534361623
C 3 0.1469857065
C 4 0.1469857065
C 5 0.1868110729
C 6 0.0076655730
O 7 -0.2202519741
BOND ANGLES
2 3 1 O3 C3 C3 89.101
1 3 2 C3 C3 O3 89.101
3 2 4 C3 O3 C3 90.449
TORSION ANGLES
3 2 4 1 0.026
2 3 1 4 0.026
2 3 1 5 179.974
2 3 1 6 179.974
2 4 1 3 0.026
2 4 1 5 179.974
2 4 1 6 0.026
7 5 1 3 179.974
7 5 1 4 0.026
7 5 1 6 179.974
1 3 2 4 0.026
CHIRAL ATOMS
C 1 is chiral: counterclockwise
|