2-methoxypropanoic acid;titanium

C4H8O3Ti — CID 175177225

IUPAC2-methoxypropanoic acid;titanium
SMILESCOC(C)C(=O)O.[Ti]
InChIInChI=1S/C4H8O3.Ti/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyPFEXAEWYSKIJBT-UHFFFAOYSA-N
MW151.97 g/mol
LogP0.10
Rot. Bonds2

About 2-methoxypropanoic acid;titanium

2-methoxypropanoic acid;titanium (PubChem CID 175177225) has the molecular formula C4H8O3Ti and a molecular weight of 151.97 g/mol. Its IUPAC name is 2-methoxypropanoic acid;titanium.

Molecular Properties

Compound Name2-methoxypropanoic acid;titanium
PubChem CID175177225
Molecular FormulaC4H8O3Ti
Molecular Weight151.97 g/mol
Exact Mass152.00
IUPAC Name2-methoxypropanoic acid;titanium
SMILESCOC(C)C(=O)O.[Ti]
InChIInChI=1S/C4H8O3.Ti/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyPFEXAEWYSKIJBT-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.97
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypropanoic acid;titanium?
The IUPAC name of 2-methoxypropanoic acid;titanium (CID 175177225) is 2-methoxypropanoic acid;titanium.
What is the SMILES notation for 2-methoxypropanoic acid;titanium?
The canonical SMILES for 2-methoxypropanoic acid;titanium is COC(C)C(=O)O.[Ti].
What is the InChIKey of 2-methoxypropanoic acid;titanium?
The InChIKey is PFEXAEWYSKIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.Ti/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);.
What are the key properties of 2-methoxypropanoic acid;titanium?
2-methoxypropanoic acid;titanium has a molecular weight of 151.97 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropanoic acid;titanium is sourced from PubChem (CID 175177225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).