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113920-63-1 | Barium borate phosphate
CAS No: 113920-63-1 Catalog No: AG000A3F MDL No:
Product Description
Catalog Number:
AG000A3F
Chemical Name:
Barium borate phosphate
CAS Number:
113920-63-1
Molecular Formula:
BBaH4O7P
Molecular Weight:
295.1393
IUPAC Name:
barium(2+);boric acid;hydrogen phosphate
InChI:
InChI=1S/BH3O3.Ba.H3O4P/c2-1(3)4;;1-5(2,3)4/h2-4H;;(H3,1,2,3,4)/q;+2;/p-2
InChI Key:
LELSMFYQGDHCHH-UHFFFAOYSA-L
SMILES:
[O-]P(=O)(O)[O-].OB(O)O.[Ba+2]
Properties
Complexity:
54.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.884g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
295.884g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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