acetic acid;dioxotitanium

C2H4O4Ti — CID 141179961

IUPACacetic acid;dioxotitanium
SMILESCC(=O)O.O=[Ti]=O
InChIInChI=1S/C2H4O2.2O.Ti/c1-2(3)4;;;/h1H3,(H,3,4);;;
InChIKeyGZERNYMMDHXMCW-UHFFFAOYSA-N
MW139.92 g/mol
LogP-0.15
Rot. Bonds

About acetic acid;dioxotitanium

acetic acid;dioxotitanium (PubChem CID 141179961) has the molecular formula C2H4O4Ti and a molecular weight of 139.92 g/mol. Its IUPAC name is acetic acid;dioxotitanium.

Molecular Properties

Compound Nameacetic acid;dioxotitanium
PubChem CID141179961
Molecular FormulaC2H4O4Ti
Molecular Weight139.92 g/mol
Exact Mass139.96
IUPAC Nameacetic acid;dioxotitanium
SMILESCC(=O)O.O=[Ti]=O
InChIInChI=1S/C2H4O2.2O.Ti/c1-2(3)4;;;/h1H3,(H,3,4);;;
InChIKeyGZERNYMMDHXMCW-UHFFFAOYSA-N
XLogP-0.15
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.92
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22169473
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acetic acid;decahydrate
CID 163997764
Tin(II)acetate
CID 87063833
acetic acid;azane
CID 173340275
acetic acid;carbonic acid
CID 157418112
acetic acid;cadmium
CID 2514
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051

Frequently Asked Questions

What is the IUPAC name of acetic acid;dioxotitanium?
The IUPAC name of acetic acid;dioxotitanium (CID 141179961) is acetic acid;dioxotitanium.
What is the SMILES notation for acetic acid;dioxotitanium?
The canonical SMILES for acetic acid;dioxotitanium is CC(=O)O.O=[Ti]=O.
What is the InChIKey of acetic acid;dioxotitanium?
The InChIKey is GZERNYMMDHXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.2O.Ti/c1-2(3)4;;;/h1H3,(H,3,4);;;.
What are the key properties of acetic acid;dioxotitanium?
acetic acid;dioxotitanium has a molecular weight of 139.92 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;dioxotitanium is sourced from PubChem (CID 141179961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).