tricalcium;acetate;carbonate;chloride

C3H3Ca3ClO5+2 — CID 159671387

IUPACtricalcium;acetate;carbonate;chloride
SMILESCC(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Cl-]
InChIInChI=1S/C2H4O2.CH2O3.3Ca.ClH/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H/q;;3*+2;/p-4
InChIKeyMUARVGWNVLQYOB-UHFFFAOYSA-J
MW274.74 g/mol
LogP-7.83
Rot. Bonds

About tricalcium;acetate;carbonate;chloride

tricalcium;acetate;carbonate;chloride (PubChem CID 159671387) has the molecular formula C3H3Ca3ClO5+2 and a molecular weight of 274.74 g/mol. Its IUPAC name is tricalcium;acetate;carbonate;chloride.

Molecular Properties

Compound Nametricalcium;acetate;carbonate;chloride
PubChem CID159671387
Molecular FormulaC3H3Ca3ClO5+2
Molecular Weight274.74 g/mol
Exact Mass273.85
IUPAC Nametricalcium;acetate;carbonate;chloride
SMILESCC(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Cl-]
InChIInChI=1S/C2H4O2.CH2O3.3Ca.ClH/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H/q;;3*+2;/p-4
InChIKeyMUARVGWNVLQYOB-UHFFFAOYSA-J
XLogP-7.83
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 5-7.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tricalcium diacetate
CID 19804487
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calcium;azane;acetate
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trisodium;acetate;carbonate
CID 169079974
bis(manganese(2+));acetate;carbonate
CID 158739591
iridium;acetate;chloride
CID 175522779
copper;iron(3+);diacetate;trichloride
CID 173400974
calcium;hydrogen carbonate;acetate
CID 138401342
disodium;acetate;chloride;trihydrate
CID 160847584
aluminum;sodium;acetate;trichloride
CID 173360119

Frequently Asked Questions

What is the IUPAC name of tricalcium;acetate;carbonate;chloride?
The IUPAC name of tricalcium;acetate;carbonate;chloride (CID 159671387) is tricalcium;acetate;carbonate;chloride.
What is the SMILES notation for tricalcium;acetate;carbonate;chloride?
The canonical SMILES for tricalcium;acetate;carbonate;chloride is CC(=O)[O-].O=C([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Cl-].
What is the InChIKey of tricalcium;acetate;carbonate;chloride?
The InChIKey is MUARVGWNVLQYOB-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H4O2.CH2O3.3Ca.ClH/c1-2(3)4;2-1(3)4;;;;/h1H3,(H,3,4);(H2,2,3,4);;;;1H/q;;3*+2;/p-4.
What are the key properties of tricalcium;acetate;carbonate;chloride?
tricalcium;acetate;carbonate;chloride has a molecular weight of 274.74 g/mol, XLogP of -7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tricalcium;acetate;carbonate;chloride is sourced from PubChem (CID 159671387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).