acetic acid;methanol;titanium

C3H8O3Ti — CID 87908067

IUPACacetic acid;methanol;titanium
SMILESCC(=O)O.CO.[Ti]
InChIInChI=1S/C2H4O2.CH4O.Ti/c1-2(3)4;1-2;/h1H3,(H,3,4);2H,1H3;
InChIKeyAVJYUMCLIPUYNG-UHFFFAOYSA-N
MW139.96 g/mol
LogP-0.30
Rot. Bonds

About acetic acid;methanol;titanium

acetic acid;methanol;titanium (PubChem CID 87908067) has the molecular formula C3H8O3Ti and a molecular weight of 139.96 g/mol. Its IUPAC name is acetic acid;methanol;titanium.

Molecular Properties

Compound Nameacetic acid;methanol;titanium
PubChem CID87908067
Molecular FormulaC3H8O3Ti
Molecular Weight139.96 g/mol
Exact Mass140.00
IUPAC Nameacetic acid;methanol;titanium
SMILESCC(=O)O.CO.[Ti]
InChIInChI=1S/C2H4O2.CH4O.Ti/c1-2(3)4;1-2;/h1H3,(H,3,4);2H,1H3;
InChIKeyAVJYUMCLIPUYNG-UHFFFAOYSA-N
XLogP-0.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.96
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;methanol;titanium?
The IUPAC name of acetic acid;methanol;titanium (CID 87908067) is acetic acid;methanol;titanium.
What is the SMILES notation for acetic acid;methanol;titanium?
The canonical SMILES for acetic acid;methanol;titanium is CC(=O)O.CO.[Ti].
What is the InChIKey of acetic acid;methanol;titanium?
The InChIKey is AVJYUMCLIPUYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.CH4O.Ti/c1-2(3)4;1-2;/h1H3,(H,3,4);2H,1H3;.
What are the key properties of acetic acid;methanol;titanium?
acetic acid;methanol;titanium has a molecular weight of 139.96 g/mol, XLogP of -0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methanol;titanium is sourced from PubChem (CID 87908067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).