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2D Structure
Also known as: Dtxsid1052531, Amy21929, Akos025243251, Db-023011
Molecular Formula
CaO4P2
Molecular Weight
166.02  g/mol
InChI Key
LITFOGPYONJRNO-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/Ca.2HO2P/c;2*1-3-2/h;2*(H,1,2)/q+2;;/p-2
2.1.2 InChI Key
LITFOGPYONJRNO-UHFFFAOYSA-L
2.1.3 Canonical SMILES
[O-]P=O.[O-]P=O.[Ca+2]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dtxsid1052531

2. Amy21929

3. Akos025243251

4. Db-023011

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 166.02 g/mol
Molecular Formula CaO4P2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass165.8897733 g/mol
Monoisotopic Mass165.8897733 g/mol
Topological Polar Surface Area80.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity7.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3