calcium;formaldehyde;dihydroxide

CH4CaO3 — CID 161245671

IUPACcalcium;formaldehyde;dihydroxide
SMILESC=O.[Ca+2].[OH-].[OH-]
InChIInChI=1S/CH2O.Ca.2H2O/c1-2;;;/h1H2;;2*1H2/q;+2;;/p-2
InChIKeyVAPIGGNPHMCPKS-UHFFFAOYSA-L
MW104.12 g/mol
LogP-0.92
Rot. Bonds

About calcium;formaldehyde;dihydroxide

calcium;formaldehyde;dihydroxide (PubChem CID 161245671) has the molecular formula CH4CaO3 and a molecular weight of 104.12 g/mol. Its IUPAC name is calcium;formaldehyde;dihydroxide.

Molecular Properties

Compound Namecalcium;formaldehyde;dihydroxide
PubChem CID161245671
Molecular FormulaCH4CaO3
Molecular Weight104.12 g/mol
Exact Mass103.98
IUPAC Namecalcium;formaldehyde;dihydroxide
SMILESC=O.[Ca+2].[OH-].[OH-]
InChIInChI=1S/CH2O.Ca.2H2O/c1-2;;;/h1H2;;2*1H2/q;+2;;/p-2
InChIKeyVAPIGGNPHMCPKS-UHFFFAOYSA-L
XLogP-0.92
TPSA77.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of calcium;formaldehyde;dihydroxide?
The IUPAC name of calcium;formaldehyde;dihydroxide (CID 161245671) is calcium;formaldehyde;dihydroxide.
What is the SMILES notation for calcium;formaldehyde;dihydroxide?
The canonical SMILES for calcium;formaldehyde;dihydroxide is C=O.[Ca+2].[OH-].[OH-].
What is the InChIKey of calcium;formaldehyde;dihydroxide?
The InChIKey is VAPIGGNPHMCPKS-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O.Ca.2H2O/c1-2;;;/h1H2;;2*1H2/q;+2;;/p-2.
What are the key properties of calcium;formaldehyde;dihydroxide?
calcium;formaldehyde;dihydroxide has a molecular weight of 104.12 g/mol, XLogP of -0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;formaldehyde;dihydroxide is sourced from PubChem (CID 161245671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).