(indium(3+)) diacetate

C4H6In29O4+85 — CID 173450278

IUPAC(indium(3+)) diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3]
InChIInChI=1S/2C2H4O2.29In/c2*1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1H3,(H,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;29*+3/p-2
InChIKeyWCSAPRWBLGKIOM-UHFFFAOYSA-L
MW3447.81 g/mol
LogP-13.53
Rot. Bonds

About (indium(3+)) diacetate

(indium(3+)) diacetate (PubChem CID 173450278) has the molecular formula C4H6In29O4+85 and a molecular weight of 3447.81 g/mol. Its IUPAC name is (indium(3+)) diacetate.

Molecular Properties

Compound Name(indium(3+)) diacetate
PubChem CID173450278
Molecular FormulaC4H6In29O4+85
Molecular Weight3447.81 g/mol
Exact Mass3450.19
IUPAC Name(indium(3+)) diacetate
SMILESCC(=O)[O-].CC(=O)[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3]
InChIInChI=1S/2C2H4O2.29In/c2*1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1H3,(H,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;29*+3/p-2
InChIKeyWCSAPRWBLGKIOM-UHFFFAOYSA-L
XLogP-13.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5003447.81
LogP ≤ 5-13.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tricalcium diacetate
CID 19804487
zirconium acetate
CID 18596
uranium hexaacetate
CID 20541057
manganese(3+) diacetate
CID 159209977
terbium(3+) acetate
CID 22482914
bis(cobalt(2+));tetraacetate
CID 157121376
CID 170997571
CID 170997571
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222
uranium(4+) tetraacetate
CID 51035191
bis(titanium(2+));tetraacetate
CID 18459511
CID 87243144
CID 87243144

Frequently Asked Questions

What is the IUPAC name of (indium(3+)) diacetate?
The IUPAC name of (indium(3+)) diacetate (CID 173450278) is (indium(3+)) diacetate.
What is the SMILES notation for (indium(3+)) diacetate?
The canonical SMILES for (indium(3+)) diacetate is CC(=O)[O-].CC(=O)[O-].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].[In+3].
What is the InChIKey of (indium(3+)) diacetate?
The InChIKey is WCSAPRWBLGKIOM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C2H4O2.29In/c2*1-2(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2*1H3,(H,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;29*+3/p-2.
What are the key properties of (indium(3+)) diacetate?
(indium(3+)) diacetate has a molecular weight of 3447.81 g/mol, XLogP of -13.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (indium(3+)) diacetate is sourced from PubChem (CID 173450278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).