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Diphosphoric acid,calcium salt (1:1)

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Diphosphoric acid,calcium salt (1:1)

EINECS 238-933-2
CAS No. 14866-19-4 Density N/A
PSA 149.57000 LogP 0.06480
Solubility N/A Melting Point 1353oC
Formula H4CaO7P2 Boiling Point N/A
Molecular Weight 218.052 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14866-19-4 (CALCIUM DIHYDROGENDIPHOSPHATE) Hazard Symbols N/A
Synonyms

Calciumpyrophosphate (CaH2O7P2) (6CI,7CI);Pyrophosphoric acid, calcium salt (1:1)(8CI);Calcium dihydrogen diphosphate;Calcium dihydrogen pyrophosphate;Calcium hydrogen diphosphate (CaH2P2O7);Calcium pyrophosphate (CaH2P2O7);Monocalcium pyrophosphate;

 

Diphosphoric acid,calcium salt (1:1) Specification

The Diphosphoric acid,calcium salt (1:1), with the CAS registry number 14866-19-4, is also known as Calcium dihydrogen pyrophosphate. Its EINECS registry number is 238-933-2. This chemical's molecular formula is H4CaO7P2 and molecular weight is 218.052. What's more, both its IUPAC name and systematic name are the same which is called Calcium phosphono dihydrogen phosphate.

Physical properties about Diphosphoric acid,calcium salt (1:1) are: (1)ACD/LogP: -3.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.96; (4)ACD/LogD (pH 7.4): -8.64; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 99.91 Å2.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ca+2].O=P(O)(O)OP(=O)(O)O
(2) InChI: InChI=1/Ca.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)/q+2;
(3) InChIKey: VEJCUEBBRSCJRP-UHFFFAOYAT

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