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yttrium silicate structure
yttrium silicate structure

yttrium silicate

Iupac Name:dioxido(oxo)silane;yttrium-90(3+)
CAS No.: 39318-36-0
Molecular Weight:408.06
Modify Date.: 2022-10-30 01:43
1. Names and Identifiers
1.1 Name
yttrium silicate
1.2 CAS No.
39318-36-0
1.3 CID
56842922
1.4 Molecular Formula
O9Si3Y2 (isomer)
1.5 Inchi
InChI=1S/3O3Si.2Y/c3*1-4(2)3;;/q3*-2;2*+3/i;;;2*1+1
1.6 InChkey
PHGLEWRBYHCKII-AXFPHJBVSA-N
1.7 Canonical Smiles
[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Y+3].[Y+3]
1.8 Isomers Smiles
[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[90Y+3].[90Y+3]
2. Properties
2.1 Boiling point
°Cat760mmHg
2.1 Flash Point
°C
3. Computational chemical data
  • Molecular Weight: 408.06g/mol
  • Molecular Formula: O9Si3Y2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 407.699295
  • Monoisotopic Mass: 407.699295
  • Complexity: 18.8
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 9
  • Topological Polar Surface Area: 190
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 2
  • Covalently-Bonded Unit Count: 5
  • CACTVS Substructure Key Fingerprint: AAADcQAAPAwAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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5. Realated Product Infomation