barium(2+);ethyl 2-hydroxyacetate;hydride

C4H10BaO3 — CID 173419911

IUPACbarium(2+);ethyl 2-hydroxyacetate;hydride
SMILESCCOC(=O)CO.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H8O3.Ba.2H/c1-2-7-4(6)3-5;;;/h5H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyJWQFCUFINVAOMB-UHFFFAOYSA-N
MW243.45 g/mol
LogP-0.61
Rot. Bonds2

About barium(2+);ethyl 2-hydroxyacetate;hydride

barium(2+);ethyl 2-hydroxyacetate;hydride (PubChem CID 173419911) has the molecular formula C4H10BaO3 and a molecular weight of 243.45 g/mol. Its IUPAC name is barium(2+);ethyl 2-hydroxyacetate;hydride.

Molecular Properties

Compound Namebarium(2+);ethyl 2-hydroxyacetate;hydride
PubChem CID173419911
Molecular FormulaC4H10BaO3
Molecular Weight243.45 g/mol
Exact Mass243.97
IUPAC Namebarium(2+);ethyl 2-hydroxyacetate;hydride
SMILESCCOC(=O)CO.[Ba+2].[H-].[H-]
InChIInChI=1S/C4H8O3.Ba.2H/c1-2-7-4(6)3-5;;;/h5H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyJWQFCUFINVAOMB-UHFFFAOYSA-N
XLogP-0.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.45
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;ethyl 2-hydroxyacetate;hydride
CID 174939573
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
dodecan-1-ol;ethyl 2-hydroxyacetate
CID 159384320
calcium;ethyl propanoate;hydride
CID 173132885
butane;diethyl propanedioate
CID 87110467
chlorobenzene;ethyl 2-hydroxyacetate
CID 174326812
ethanol;ethyl 2-aminoacetate
CID 174720999
ethyl 3-hydroxypropanoate
CID 160663371
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
ethyl 2-aminoacetate
CID 45039361
ethyl propanoate;methane
CID 161360642

Frequently Asked Questions

What is the IUPAC name of barium(2+);ethyl 2-hydroxyacetate;hydride?
The IUPAC name of barium(2+);ethyl 2-hydroxyacetate;hydride (CID 173419911) is barium(2+);ethyl 2-hydroxyacetate;hydride.
What is the SMILES notation for barium(2+);ethyl 2-hydroxyacetate;hydride?
The canonical SMILES for barium(2+);ethyl 2-hydroxyacetate;hydride is CCOC(=O)CO.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);ethyl 2-hydroxyacetate;hydride?
The InChIKey is JWQFCUFINVAOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.Ba.2H/c1-2-7-4(6)3-5;;;/h5H,2-3H2,1H3;;;/q;+2;2*-1.
What are the key properties of barium(2+);ethyl 2-hydroxyacetate;hydride?
barium(2+);ethyl 2-hydroxyacetate;hydride has a molecular weight of 243.45 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);ethyl 2-hydroxyacetate;hydride is sourced from PubChem (CID 173419911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).