beryllium;hydride;2-oxopropanedioic acid

C3H4BeO5 — CID 174837448

IUPACberyllium;hydride;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Be+2].[H-].[H-]
InChIInChI=1S/C3H2O5.Be.2H/c4-1(2(5)6)3(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1
InChIKeyPEIGVQJKGKVJMM-UHFFFAOYSA-N
MW129.07 g/mol
LogP-1.43
Rot. Bonds2

About beryllium;hydride;2-oxopropanedioic acid

beryllium;hydride;2-oxopropanedioic acid (PubChem CID 174837448) has the molecular formula C3H4BeO5 and a molecular weight of 129.07 g/mol. Its IUPAC name is beryllium;hydride;2-oxopropanedioic acid.

Molecular Properties

Compound Nameberyllium;hydride;2-oxopropanedioic acid
PubChem CID174837448
Molecular FormulaC3H4BeO5
Molecular Weight129.07 g/mol
Exact Mass129.02
IUPAC Nameberyllium;hydride;2-oxopropanedioic acid
SMILESO=C(O)C(=O)C(=O)O.[Be+2].[H-].[H-]
InChIInChI=1S/C3H2O5.Be.2H/c4-1(2(5)6)3(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1
InChIKeyPEIGVQJKGKVJMM-UHFFFAOYSA-N
XLogP-1.43
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.07
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

magnesium;hydride;2-oxopropanedioic acid
CID 174763054
cobalt;2-oxopropanedioic acid
CID 174542323
cerium;lanthanum;2-oxopropanedioic acid
CID 175276289
tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375
sodium;carbonic acid;hydride;oxalic acid
CID 175474397
potassium;hydride;niobium;oxalic acid
CID 175228480
strontium;hydride;oxalic acid;titanium
CID 173257716
sodium;hydride;oxalic acid;zirconium
CID 173001749
calcium;barium(2+);hydride;oxalic acid
CID 174906012
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
potassium;azane;hydride;iron;oxalic acid
CID 173003601
trimagnesium;carbonic acid;hydride
CID 173236021

Frequently Asked Questions

What is the IUPAC name of beryllium;hydride;2-oxopropanedioic acid?
The IUPAC name of beryllium;hydride;2-oxopropanedioic acid (CID 174837448) is beryllium;hydride;2-oxopropanedioic acid.
What is the SMILES notation for beryllium;hydride;2-oxopropanedioic acid?
The canonical SMILES for beryllium;hydride;2-oxopropanedioic acid is O=C(O)C(=O)C(=O)O.[Be+2].[H-].[H-].
What is the InChIKey of beryllium;hydride;2-oxopropanedioic acid?
The InChIKey is PEIGVQJKGKVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O5.Be.2H/c4-1(2(5)6)3(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1.
What are the key properties of beryllium;hydride;2-oxopropanedioic acid?
beryllium;hydride;2-oxopropanedioic acid has a molecular weight of 129.07 g/mol, XLogP of -1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;hydride;2-oxopropanedioic acid is sourced from PubChem (CID 174837448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).