chromium;formic acid;pentadecahydrate

C3H36Cr6O21 — CID 171035539

IUPACchromium;formic acid;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=CO.O=CO.O=CO.[Cr].[Cr].[Cr].[Cr].[Cr].[Cr]
InChIInChI=1S/3CH2O2.6Cr.15H2O/c3*2-1-3;;;;;;;;;;;;;;;;;;;;;/h3*1H,(H,2,3);;;;;;;15*1H2
InChIKeyNEKYLCZNBRWZDL-UHFFFAOYSA-N
MW720.28 g/mol
LogP-13.28
Rot. Bonds

About chromium;formic acid;pentadecahydrate

chromium;formic acid;pentadecahydrate (PubChem CID 171035539) has the molecular formula C3H36Cr6O21 and a molecular weight of 720.28 g/mol. Its IUPAC name is chromium;formic acid;pentadecahydrate.

Molecular Properties

Compound Namechromium;formic acid;pentadecahydrate
PubChem CID171035539
Molecular FormulaC3H36Cr6O21
Molecular Weight720.28 g/mol
Exact Mass719.82
IUPAC Namechromium;formic acid;pentadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=CO.O=CO.O=CO.[Cr].[Cr].[Cr].[Cr].[Cr].[Cr]
InChIInChI=1S/3CH2O2.6Cr.15H2O/c3*2-1-3;;;;;;;;;;;;;;;;;;;;;/h3*1H,(H,2,3);;;;;;;15*1H2
InChIKeyNEKYLCZNBRWZDL-UHFFFAOYSA-N
XLogP-13.28
TPSA584.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500720.28
LogP ≤ 5-13.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chromium;formic acid;pentadecahydrate?
The IUPAC name of chromium;formic acid;pentadecahydrate (CID 171035539) is chromium;formic acid;pentadecahydrate.
What is the SMILES notation for chromium;formic acid;pentadecahydrate?
The canonical SMILES for chromium;formic acid;pentadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=CO.O=CO.O=CO.[Cr].[Cr].[Cr].[Cr].[Cr].[Cr].
What is the InChIKey of chromium;formic acid;pentadecahydrate?
The InChIKey is NEKYLCZNBRWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/3CH2O2.6Cr.15H2O/c3*2-1-3;;;;;;;;;;;;;;;;;;;;;/h3*1H,(H,2,3);;;;;;;15*1H2.
What are the key properties of chromium;formic acid;pentadecahydrate?
chromium;formic acid;pentadecahydrate has a molecular weight of 720.28 g/mol, XLogP of -13.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;formic acid;pentadecahydrate is sourced from PubChem (CID 171035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).