KEGG   COMPOUND: C14469Help
Entry
C14469                      Compound                               

Name
Di-n-propylphthalate;
Dipropyl phthalate
Formula
C14H18O4
Exact mass
250.1205
Mol weight
250.2903
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14469  Di-n-propylphthalate
BRITE hierarchy
Other DBs
CAS: 
131-16-8
PubChem: 
ChEBI: 
ChEMBL: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8x C    24.6152  -16.2812
            2   C8x C    24.6152  -17.6861
            3   C8x C    25.8318  -18.3885
            4   C8y C    27.0486  -17.6861
            5   C8y C    27.0486  -16.2812
            6   C8x C    25.8318  -15.5786
            7   C7a C    28.2840  -15.5676
            8   C7a C    28.2840  -18.3995
            9   O7a O    29.4934  -16.2658
            10  O7a O    29.4934  -17.7013
            11  O6a O    28.2837  -14.1738
            12  O6a O    28.2837  -19.7933
            13  C1b C    30.6798  -15.5806
            14  C1b C    30.6798  -18.3866
            15  C1b C    31.8780  -16.2723
            16  C1b C    31.8780  -17.6948
            17  C1a C    33.1096  -18.4062
            18  C1a C    33.0966  -15.5685
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     4   8 1
            9     7   9 1
            10    8  10 1
            11    7  11 2
            12    8  12 2
            13    9  13 1
            14   10  14 1
            15   13  15 1
            16   14  16 1
            17   16  17 1
            18   15  18 1

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