calcium;hydride;phenyl dihydrogen phosphite

C6H9CaO3P — CID 173093871

IUPACcalcium;hydride;phenyl dihydrogen phosphite
SMILESOP(O)Oc1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H7O3P.Ca.2H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5,7-8H;;;/q;+2;2*-1
InChIKeyMWJOUHXKYCYCCW-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.12
Rot. Bonds2

About calcium;hydride;phenyl dihydrogen phosphite

calcium;hydride;phenyl dihydrogen phosphite (PubChem CID 173093871) has the molecular formula C6H9CaO3P and a molecular weight of 200.19 g/mol. Its IUPAC name is calcium;hydride;phenyl dihydrogen phosphite.

Molecular Properties

Compound Namecalcium;hydride;phenyl dihydrogen phosphite
PubChem CID173093871
Molecular FormulaC6H9CaO3P
Molecular Weight200.19 g/mol
Exact Mass199.99
IUPAC Namecalcium;hydride;phenyl dihydrogen phosphite
SMILESOP(O)Oc1ccccc1.[Ca+2].[H-].[H-]
InChIInChI=1S/C6H7O3P.Ca.2H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5,7-8H;;;/q;+2;2*-1
InChIKeyMWJOUHXKYCYCCW-UHFFFAOYSA-N
XLogP1.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

strontium;hydride;phenyl dihydrogen phosphite
CID 173442477
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
ethane-1,2-diol;phenyl dihydrogen phosphite
CID 118162360
phenoxy(phenyl)phosphinous acid
CID 21107296
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
methylsulfanyl phenyl hydrogen phosphite
CID 175099575
formyl(phenoxy)phosphinous acid
CID 19387428
diphenyl hydrogen phosphite;ethanol
CID 159674253
CID 174767827
CID 174767827
phenoxy dihydrogen phosphite
CID 22750423
(3-iodophenyl) dihydrogen phosphite
CID 174648122

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;phenyl dihydrogen phosphite?
The IUPAC name of calcium;hydride;phenyl dihydrogen phosphite (CID 173093871) is calcium;hydride;phenyl dihydrogen phosphite.
What is the SMILES notation for calcium;hydride;phenyl dihydrogen phosphite?
The canonical SMILES for calcium;hydride;phenyl dihydrogen phosphite is OP(O)Oc1ccccc1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;phenyl dihydrogen phosphite?
The InChIKey is MWJOUHXKYCYCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3P.Ca.2H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5,7-8H;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;phenyl dihydrogen phosphite?
calcium;hydride;phenyl dihydrogen phosphite has a molecular weight of 200.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;phenyl dihydrogen phosphite is sourced from PubChem (CID 173093871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).