calcium;acetic acid;dichloride

C2H4CaCl2O2 — CID 174437121

IUPACcalcium;acetic acid;dichloride
SMILESCC(=O)O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C2H4O2.Ca.2ClH/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H/q;+2;;/p-2
InChIKeyJGQMQGZHEUIYIZ-UHFFFAOYSA-L
MW171.04 g/mol
LogP-6.28
Rot. Bonds

About calcium;acetic acid;dichloride

calcium;acetic acid;dichloride (PubChem CID 174437121) has the molecular formula C2H4CaCl2O2 and a molecular weight of 171.04 g/mol. Its IUPAC name is calcium;acetic acid;dichloride.

Molecular Properties

Compound Namecalcium;acetic acid;dichloride
PubChem CID174437121
Molecular FormulaC2H4CaCl2O2
Molecular Weight171.04 g/mol
Exact Mass169.92
IUPAC Namecalcium;acetic acid;dichloride
SMILESCC(=O)O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C2H4O2.Ca.2ClH/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H/q;+2;;/p-2
InChIKeyJGQMQGZHEUIYIZ-UHFFFAOYSA-L
XLogP-6.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.04
LogP ≤ 5-6.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

acetic acid;tris(yttrium)
CID 59994727
magnesium;acetic acid;dichloride
CID 174344389
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;tin(2+);dichloride
CID 163897744
acetic acid;molybdenum;nickel
CID 174906358
acetic acid;lanthanum(3+);trichloride
CID 175056624
acetic acid;cobalt;molybdenum
CID 174687861
acetic acid
CID 158444727
calcium;sodium;acetic acid;hydride
CID 173169093
dimagnesium;acetic acid;hydride;dichloride
CID 174863271
acetic acid;decahydrate
CID 163997764
Tin(II)acetate
CID 87063833

Frequently Asked Questions

What is the IUPAC name of calcium;acetic acid;dichloride?
The IUPAC name of calcium;acetic acid;dichloride (CID 174437121) is calcium;acetic acid;dichloride.
What is the SMILES notation for calcium;acetic acid;dichloride?
The canonical SMILES for calcium;acetic acid;dichloride is CC(=O)O.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;acetic acid;dichloride?
The InChIKey is JGQMQGZHEUIYIZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4O2.Ca.2ClH/c1-2(3)4;;;/h1H3,(H,3,4);;2*1H/q;+2;;/p-2.
What are the key properties of calcium;acetic acid;dichloride?
calcium;acetic acid;dichloride has a molecular weight of 171.04 g/mol, XLogP of -6.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetic acid;dichloride is sourced from PubChem (CID 174437121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).