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141788-28-5 | Carbonic acid calcium salt (1:1), mixt. with disodium phosphorofluoridate (9CI)
CAS No: 141788-28-5 Catalog No: AG001H6Y MDL No:
Product Description
Catalog Number:
AG001H6Y
Chemical Name:
Carbonic acid calcium salt (1:1), mixt. with disodium phosphorofluoridate (9CI)
CAS Number:
141788-28-5
Molecular Formula:
CHCaFNa2O6P+
Molecular Weight:
245.0447
IUPAC Name:
calcium;disodium;fluorooxy-oxido-oxophosphanium;carbonate
InChI:
InChI=1S/CH2O3.Ca.FO3P.2Na/c2-1(3)4;;1-4-5(2)3;;/h(H2,2,3,4);;;;/q;+2;;2*+1/p-2
InChI Key:
CCSMHSDLFHZICL-UHFFFAOYSA-L
SMILES:
[O-]C(=O)[O-].FOP(=O)[O-].[Na+].[Na+].[Ca+2]
Properties
Complexity:
55.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.884g/mol
Formal Charge:
2
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.035g/mol
Monoisotopic Mass:
243.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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