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1-Cyclopropyl-4-methylbenzene |
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ID: 6773 CAS:6921-43-3 Supplier:SYNCHEM OHG SMILES:c1c(ccc(c1)C1CC1)C FORMULA: C10H12
MASS: 132.2023
EXACT MASS: 132.0939004
INTERATOMIC DISTANCES
C 1 C 2 C 3 C 4 C 5 C 6
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C 1 0.0000
C 2 0.8274 0.0000
C 3 1.4310 0.8255 0.0000
C 4 1.6520 1.4312 0.8271 0.0000
C 5 1.4273 1.6525 1.4341 0.8305 0.0000
C 6 0.8229 1.4305 1.6530 1.4326 0.8241 0.0000
C 7 1.4312 0.8250 1.4296 2.1853 2.4775 2.1835
C 8 2.1808 2.4775 2.1880 1.4339 0.8250 1.4283
C 9 2.9933 3.2164 2.7960 1.9763 1.5918 2.2519
C 10 2.7889 3.2159 2.9995 2.2561 1.5911 1.9728
C 7 C 8 C 9 C 10
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C 7 0.0000
C 8 3.3025 0.0000
C 9 4.0363 0.8236 0.0000
C 10 4.0352 0.8223 0.8249 0.0000
ATOMIC CHARGES
C 1 -0.0045788145
C 2 -0.0218692955
C 3 -0.0045788145
C 4 -0.0045991378
C 5 -0.0225236003
C 6 -0.0045991378
C 7 0.0310264098
C 8 0.0223524692
C 9 0.0046849607
C 10 0.0046849607
BOND ANGLES
7 2 3 C3 Car Car 120.035
2 3 4 Car Car Car 120.000
8 5 6 C3 Car Car 120.020
5 6 1 Car Car Car 120.135
3 2 7 Car Car C3 120.035
6 5 8 Car Car C3 120.020
5 8 10 Car C3 C3 150.006
TORSION ANGLES
1 2 3 4 0.026
7 2 3 4 179.974
8 5 6 1 179.974
4 5 6 1 0.026
5 6 1 2 0.026
6 1 2 3 0.026
6 1 2 7 179.974
2 3 4 5 0.026
6 5 8 9 179.974
6 5 8 10 0.026
4 5 8 9 0.026
4 5 8 10 179.974
10 9 8 5 179.974
10 9 8 10 0.026
8 10 9 8 0.026
5 8 10 9 179.974
9 8 10 9 0.026
3 4 5 6 0.026
3 4 5 8 179.974
CHIRAL ATOMS
C 8 is chiral: counterclockwise
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