molybdenum;propane-1,2,3-triol;hydrate

C3H10MoO4 — CID 172843449

IUPACmolybdenum;propane-1,2,3-triol;hydrate
SMILESO.OCC(O)CO.[Mo]
InChIInChI=1S/C3H8O3.Mo.H2O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;1H2
InChIKeySMYZVOQONICYGP-UHFFFAOYSA-N
MW206.05 g/mol
LogP-2.50
Rot. Bonds2

About molybdenum;propane-1,2,3-triol;hydrate

molybdenum;propane-1,2,3-triol;hydrate (PubChem CID 172843449) has the molecular formula C3H10MoO4 and a molecular weight of 206.05 g/mol. Its IUPAC name is molybdenum;propane-1,2,3-triol;hydrate.

Molecular Properties

Compound Namemolybdenum;propane-1,2,3-triol;hydrate
PubChem CID172843449
Molecular FormulaC3H10MoO4
Molecular Weight206.05 g/mol
Exact Mass207.96
IUPAC Namemolybdenum;propane-1,2,3-triol;hydrate
SMILESO.OCC(O)CO.[Mo]
InChIInChI=1S/C3H8O3.Mo.H2O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;1H2
InChIKeySMYZVOQONICYGP-UHFFFAOYSA-N
XLogP-2.50
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 5-2.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of molybdenum;propane-1,2,3-triol;hydrate?
The IUPAC name of molybdenum;propane-1,2,3-triol;hydrate (CID 172843449) is molybdenum;propane-1,2,3-triol;hydrate.
What is the SMILES notation for molybdenum;propane-1,2,3-triol;hydrate?
The canonical SMILES for molybdenum;propane-1,2,3-triol;hydrate is O.OCC(O)CO.[Mo].
What is the InChIKey of molybdenum;propane-1,2,3-triol;hydrate?
The InChIKey is SMYZVOQONICYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O3.Mo.H2O/c4-1-3(6)2-5;;/h3-6H,1-2H2;;1H2.
What are the key properties of molybdenum;propane-1,2,3-triol;hydrate?
molybdenum;propane-1,2,3-triol;hydrate has a molecular weight of 206.05 g/mol, XLogP of -2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;propane-1,2,3-triol;hydrate is sourced from PubChem (CID 172843449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).