KEGG   COMPOUND: C13556
Entry
C13556                      Compound                               
Name
Monobasic calcium phosphate;
Calcium biphosphate;
Monocalcium phosphate
Formula
Ca(H2PO4)2
Exact mass
233.9007
Mol weight
234.0525
Structure
Other DBs
CAS: 7758-23-8
PubChem: 853919
ChEBI: 35433
NIKKAJI: J202.844A J399.761H
KCF data

ATOM        11
            1   P1b P    24.3833  -15.4700
            2   O1c O    24.3833  -14.0700
            3   O1c O    24.3833  -16.8700
            4   O1c O    25.8300  -15.4700 #-
            5   O1c O    23.0300  -15.4700
            6   Z   Ca   28.2100  -15.3300 #2+
            7   P1b P    24.3833  -15.4700
            8   O1c O    24.3833  -16.8700
            9   O1c O    25.8300  -15.4700 #-
            10  O1c O    23.0300  -15.4700
            11  O1c O    24.3833  -14.0700
BOND        8
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     1   2 2
            5     7   8 1
            6     7   9 1
            7     7  10 1
            8     7  11 2
BRACKET     1    21.6300  -17.5700   21.6300  -13.4400
            1    26.7400  -13.4400   26.7400  -17.5700
            1  2
 ORIGINAL  1    1   3   4   5   2
 REPEAT    1    7   8   9  10  11

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