C17688


Entry
C17688                      Compound                               
Name
Aluminum acetoacetate
Formula
(C4H5O3)3. Al
Exact mass
330.0531
Mol weight
330.2236
Structure
Remark
ATC code: A02AB05
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02A ANTACIDS
    A02AB Aluminium compounds
     A02AB05 Aluminium acetoacetate
      C17688  Aluminum acetoacetate
Other DBs
PubChem: 163311807
ChEBI: 138819
KCF data

ATOM        22
            1   C5a C    30.8700  -25.2700
            2   O5a O    30.8700  -26.6700
            3   O6a O    33.3200  -26.6700 #-
            4   C6a C    33.3200  -25.2700
            5   C1b C    32.0600  -24.5700
            6   O6a O    34.5100  -24.5700
            7   C1a C    29.6800  -24.5700
            8   O6a O    33.2500  -30.8700 #-
            9   C6a C    34.4400  -31.5700
            10  C1b C    35.7000  -30.8700
            11  C5a C    35.7000  -29.4700
            12  O5a O    34.4400  -28.7700
            13  O6a O    34.4400  -32.9700
            14  C1a C    36.8900  -28.7700
            15  C6a C    28.4200  -29.4700
            16  C1b C    28.4200  -30.8700
            17  C5a C    29.6100  -31.5700
            18  O5a O    30.8700  -30.8700
            19  O6a O    29.6100  -28.7700 #-
            20  O6a O    27.2300  -28.7700
            21  C1a C    29.6100  -32.9700
            22  Z   Al   31.7800  -28.9100 #3+
BOND        18
            1     1   2 2
            2     3   4 1
            3     4   5 1
            4     1   5 1
            5     4   6 2
            6     1   7 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 2
            11    9  13 2
            12   11  14 1
            13   15  16 1
            14   16  17 1
            15   17  18 2
            16   15  19 1
            17   15  20 2
            18   17  21 1