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Tetrahydrofurfuryl propionate
Tetrahydrofurfuryl propionate ID: B184401
CAS:637-65-0
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(=O)(OCC1OCCC1)CC	
FORMULA: C8H14O3
MASS: 158.1950
EXACT MASS: 158.0942943
INTERATOMIC DISTANCES

              C   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7000     0.0000 
   O   3    2.4292     2.5246     0.0000 
   O   4    0.7054     1.2156     1.8525     0.0000 
   C   5    1.2167     1.4037     1.2126     0.6983     0.0000 
   C   6    1.8567     2.1014     0.7004     1.2125     0.6977     0.0000 
   C   7    0.7018     1.2135     3.0591     1.2208     1.8583     2.4333 
   C   8    3.0479     3.2019     0.6946     2.4167     1.8437     1.2042 
   C   9    2.1014     2.5227     1.2151     1.3959     1.2063     0.7000 
   C  10    1.2130     1.8540     3.2115     1.4022     2.1004     2.5275 
   C  11    3.2098     3.4993     1.2135     2.5206     2.0956     1.3980 

              C   7      C   8      C   9      C  10      C  11
              -------------------------------------------------------
   C   7    0.0000 
   C   8    3.6375     0.0000 
   C   9    2.5297     1.3950     0.0000 
   C  10    0.7042     3.6993     2.4250     0.0000 
   C  11    3.7101     0.7000     1.2125     3.6375     0.0000 



ATOMIC CHARGES
   C   1    0.3170484521
   O   2   -0.2501042149
   O   3   -0.3524389033
   O   4   -0.4458260338
   C   5    0.2376496244
   C   6    0.1588742760
   C   7    0.1095812981
   C   8    0.1422963538
   C   9    0.0360074119
   C  10    0.0122203358
   C  11    0.0346913998


BOND ANGLES
   2    1    4   O2   C2   O3    119.745
   2    1    7   O2   C2   C3    119.915
   4    1    7   O3   C2   C3    120.340
   6    3    8   C3   O3   C3    119.363
   1    4    5   C2   O3   C3    120.172
   4    5    6   O3   C3   C3    120.593
   3    6    5   O3   C3   C3    120.296
   3    6    9   O3   C3   C3    120.380
   5    6    9   C3   C3   C3    119.324
   1    7   10   C2   C3   C3    119.240
   3    8   11   O3   C3   C3    120.936
   6    9   11   C3   C3   C3     89.802
   8   11    9   C3   C3   C3     89.519


TORSION ANGLES
   8    3    6    5    179.974
   8    3    6    9      0.026
   5    4    1    2      0.026
   5    4    1    7    179.974
   6    5    4    1    179.974
   3    6    5    4    179.974
   9    6    5    4      0.026
  10    7    1    2    179.974
  10    7    1    4      0.026
  11    8    3    6      0.026
  11    9    6    3      0.026
  11    9    6    5    179.974
   8   11    9    6      0.026
   3    8   11    9      0.026


CHIRAL ATOMS
   3    8   11    9      0.026