calcium;acetic acid;formaldehyde;hydride

C3H8CaO3 — CID 173277282

IUPACcalcium;acetic acid;formaldehyde;hydride
SMILESC=O.CC(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H4O2.CH2O.Ca.2H/c1-2(3)4;1-2;;;/h1H3,(H,3,4);1H2;;;/q;;+2;2*-1
InChIKeySNGCFWKUDATRJJ-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.25
Rot. Bonds

About calcium;acetic acid;formaldehyde;hydride

calcium;acetic acid;formaldehyde;hydride (PubChem CID 173277282) has the molecular formula C3H8CaO3 and a molecular weight of 132.17 g/mol. Its IUPAC name is calcium;acetic acid;formaldehyde;hydride.

Molecular Properties

Compound Namecalcium;acetic acid;formaldehyde;hydride
PubChem CID173277282
Molecular FormulaC3H8CaO3
Molecular Weight132.17 g/mol
Exact Mass132.01
IUPAC Namecalcium;acetic acid;formaldehyde;hydride
SMILESC=O.CC(=O)O.[Ca+2].[H-].[H-]
InChIInChI=1S/C2H4O2.CH2O.Ca.2H/c1-2(3)4;1-2;;;/h1H3,(H,3,4);1H2;;;/q;;+2;2*-1
InChIKeySNGCFWKUDATRJJ-UHFFFAOYSA-N
XLogP-0.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;formaldehyde;hydrate
CID 19350045
calcium;sodium;acetic acid;hydride
CID 173169093
trisodium;acetic acid;hydride
CID 172996834
calcium;acetic acid;dichloride
CID 174437121
strontium;acetic acid;hydride
CID 173216931
henicosamagnesium;acetic acid;hydride
CID 173442224
magnesium;acetic acid;hydride
CID 172995175
tricosasodium;acetic acid;hydride
CID 173423110
acetic acid;molybdenum;nickel
CID 174906358
acetic acid;ethene
CID 172797220
potassium;acetic acid;hydride
CID 173209804
acetic acid;hydride;nickel
CID 173448047

Frequently Asked Questions

What is the IUPAC name of calcium;acetic acid;formaldehyde;hydride?
The IUPAC name of calcium;acetic acid;formaldehyde;hydride (CID 173277282) is calcium;acetic acid;formaldehyde;hydride.
What is the SMILES notation for calcium;acetic acid;formaldehyde;hydride?
The canonical SMILES for calcium;acetic acid;formaldehyde;hydride is C=O.CC(=O)O.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;acetic acid;formaldehyde;hydride?
The InChIKey is SNGCFWKUDATRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH2O.Ca.2H/c1-2(3)4;1-2;;;/h1H3,(H,3,4);1H2;;;/q;;+2;2*-1.
What are the key properties of calcium;acetic acid;formaldehyde;hydride?
calcium;acetic acid;formaldehyde;hydride has a molecular weight of 132.17 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetic acid;formaldehyde;hydride is sourced from PubChem (CID 173277282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).