acetyl acetate;chromium(2+)

C4H6CrO3+2 — CID 19978523

IUPACacetyl acetate;chromium(2+)
SMILESCC(=O)OC(C)=O.[Cr+2]
InChIInChI=1S/C4H6O3.Cr/c1-3(5)7-4(2)6;/h1-2H3;/q;+2
InChIKeyRVWGZQAPEFTXPM-UHFFFAOYSA-N
MW154.08 g/mol
LogP0.09
Rot. Bonds

About acetyl acetate;chromium(2+)

acetyl acetate;chromium(2+) (PubChem CID 19978523) has the molecular formula C4H6CrO3+2 and a molecular weight of 154.08 g/mol. Its IUPAC name is acetyl acetate;chromium(2+).

Molecular Properties

Compound Nameacetyl acetate;chromium(2+)
PubChem CID19978523
Molecular FormulaC4H6CrO3+2
Molecular Weight154.08 g/mol
Exact Mass153.97
IUPAC Nameacetyl acetate;chromium(2+)
SMILESCC(=O)OC(C)=O.[Cr+2]
InChIInChI=1S/C4H6O3.Cr/c1-3(5)7-4(2)6;/h1-2H3;/q;+2
InChIKeyRVWGZQAPEFTXPM-UHFFFAOYSA-N
XLogP0.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.08
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetyl acetate;hydrochloride
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CID 160689228
dicalcium;acetyl acetate;hydride
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acetyl acetate;carbanide;gold
CID 87857087
acetyl acetate;zinc;dihydrate
CID 174593639
aluminum;acetyl acetate;trichloride
CID 86584360
dimagnesium;acetyl acetate;hydride;tetrahydrate
CID 174549676
acetyl acetate;methoxymethane;propan-2-one
CID 158376836
acetyl acetate;bis(trifluoroborane)
CID 87483459
acetyl acetate;1,2-dichloroethane
CID 161071038
acetyl acetate;2-oxopropanoic acid;vanadium
CID 174449179
acetyl 2-deuterioacetate
CID 22812327

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;chromium(2+)?
The IUPAC name of acetyl acetate;chromium(2+) (CID 19978523) is acetyl acetate;chromium(2+).
What is the SMILES notation for acetyl acetate;chromium(2+)?
The canonical SMILES for acetyl acetate;chromium(2+) is CC(=O)OC(C)=O.[Cr+2].
What is the InChIKey of acetyl acetate;chromium(2+)?
The InChIKey is RVWGZQAPEFTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.Cr/c1-3(5)7-4(2)6;/h1-2H3;/q;+2.
What are the key properties of acetyl acetate;chromium(2+)?
acetyl acetate;chromium(2+) has a molecular weight of 154.08 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;chromium(2+) is sourced from PubChem (CID 19978523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).