CAS No.14866-19-4,CALCIUM DIHYDROGENDIPHOSPHATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14866-19-4
Name:	CALCIUM DIHYDROGENDIPHOSPHATE

Formula:	H₄CaO₇P₂
Molecular Weight:	218.052
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;
EINECS:	238-933-2
Melting Point:	1353oC
PSA:	149.57000
LogP:	0.06480

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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