dihydroxy(dioxo)chromium;3-oxobutanoic acid

C4H8CrO7 — CID 87498102

IUPACdihydroxy(dioxo)chromium;3-oxobutanoic acid
SMILESCC(=O)CC(=O)O.O=[Cr](=O)(O)O
InChIInChI=1S/C4H6O3.Cr.2H2O.2O/c1-3(5)2-4(6)7;;;;;/h2H2,1H3,(H,6,7);;2*1H2;;/q;+2;;;;/p-2
InChIKeyHRVRHVYTMKIAMA-UHFFFAOYSA-L
MW220.10 g/mol
LogP-1.30
Rot. Bonds2

About dihydroxy(dioxo)chromium;3-oxobutanoic acid

dihydroxy(dioxo)chromium;3-oxobutanoic acid (PubChem CID 87498102) has the molecular formula C4H8CrO7 and a molecular weight of 220.10 g/mol. Its IUPAC name is dihydroxy(dioxo)chromium;3-oxobutanoic acid.

Molecular Properties

Compound Namedihydroxy(dioxo)chromium;3-oxobutanoic acid
PubChem CID87498102
Molecular FormulaC4H8CrO7
Molecular Weight220.10 g/mol
Exact Mass219.97
IUPAC Namedihydroxy(dioxo)chromium;3-oxobutanoic acid
SMILESCC(=O)CC(=O)O.O=[Cr](=O)(O)O
InChIInChI=1S/C4H6O3.Cr.2H2O.2O/c1-3(5)2-4(6)7;;;;;/h2H2,1H3,(H,6,7);;2*1H2;;/q;+2;;;;/p-2
InChIKeyHRVRHVYTMKIAMA-UHFFFAOYSA-L
XLogP-1.30
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dihydroxy(dioxo)chromium;3-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxobutanoic acid
CID 96
nickel;3-oxobutanoic acid
CID 54611990
ethene;3-oxobutanoic acid
CID 160700842
3-oxobutanoic acid;propane;zirconium
CID 175002834
3-oxobutanoic acid;sulfurous acid
CID 88749298
calcium;3-oxobutanoic acid;carbonate
CID 175960465
chloroethane;3-oxobutanoic acid
CID 174461948
iron;2-methylpropane;3-oxobutanoic acid
CID 161333798
ethenol;3-oxobutanoic acid
CID 87303365
alumane;bis(3-oxobutanoic acid);propan-2-ol
CID 175404831
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(3-oxobutanoic acid)
CID 160605037
bis(butan-2-ol);3-oxobutanoic acid
CID 87251027

Frequently Asked Questions

What is the IUPAC name of dihydroxy(dioxo)chromium;3-oxobutanoic acid?
The IUPAC name of dihydroxy(dioxo)chromium;3-oxobutanoic acid (CID 87498102) is dihydroxy(dioxo)chromium;3-oxobutanoic acid.
What is the SMILES notation for dihydroxy(dioxo)chromium;3-oxobutanoic acid?
The canonical SMILES for dihydroxy(dioxo)chromium;3-oxobutanoic acid is CC(=O)CC(=O)O.O=[Cr](=O)(O)O.
What is the InChIKey of dihydroxy(dioxo)chromium;3-oxobutanoic acid?
The InChIKey is HRVRHVYTMKIAMA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O3.Cr.2H2O.2O/c1-3(5)2-4(6)7;;;;;/h2H2,1H3,(H,6,7);;2*1H2;;/q;+2;;;;/p-2.
What are the key properties of dihydroxy(dioxo)chromium;3-oxobutanoic acid?
dihydroxy(dioxo)chromium;3-oxobutanoic acid has a molecular weight of 220.10 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dioxo)chromium;3-oxobutanoic acid is sourced from PubChem (CID 87498102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).