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123093-85-6

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Basic Information
CAS No.: 123093-85-6
Name: CALCIUM METAPHOSPHATE
Molecular Structure:
Molecular Structure of 123093-85-6 (CALCIUM METAPHOSPHATE)
Formula: CaO6P2
Molecular Weight: 198.02
Synonyms: Calcium bis(metaphosphate);
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Specification

The Calciummetaphosphate, with the CAS registry number of 123093-85-6, is also known as Calcium bis(metaphosphate). This chemical's molecular formula is CaO6P2 and molecular weight is 198.02.

Physical properties about Calciummetaphosphate are: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 6; (3)Rotatable Bond Count: 0; (4)Exact Mass: 197.879602; (5)MonoIsotopic Mass: 197.879602; (6)Topological Polar Surface Area: 114; (7)Heavy Atom Count: 9; (8)Formal Charge: 0; (9)Complexity: 36.5; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
Canonical SMILES: [O-]P(=O)=O.[O-]P(=O)=O.[Ca+2]
InChI: InChI=1S/Ca.2HO3P/c;2*1-4(2)3/h;2*(H,1,2,3)/q+2;;/p-2
InChIKey: ROPDWRCJTIRLTR-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Toksikologicheskii Vestnik. Vol. (2), Pg. 35, 1995.
mouse LD50 oral 3800mg/kg (3800mg/kg)   Toksikologicheskii Vestnik. Vol. (2), Pg. 35, 1995.
rat LD50 oral 4500mg/kg (4500mg/kg)   Toksikologicheskii Vestnik. Vol. (2), Pg. 35, 1995.