acetic acid;iron;hexahydrate

C4H20FeO10 — CID 171714614

IUPACacetic acid;iron;hexahydrate
SMILESCC(=O)O.CC(=O)O.O.O.O.O.O.O.[Fe]
InChIInChI=1S/2C2H4O2.Fe.6H2O/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);;6*1H2
InChIKeyANHDPZJMGYZUJL-UHFFFAOYSA-N
MW284.04 g/mol
LogP-4.77
Rot. Bonds

About acetic acid;iron;hexahydrate

acetic acid;iron;hexahydrate (PubChem CID 171714614) has the molecular formula C4H20FeO10 and a molecular weight of 284.04 g/mol. Its IUPAC name is acetic acid;iron;hexahydrate.

Molecular Properties

Compound Nameacetic acid;iron;hexahydrate
PubChem CID171714614
Molecular FormulaC4H20FeO10
Molecular Weight284.04 g/mol
Exact Mass284.04
IUPAC Nameacetic acid;iron;hexahydrate
SMILESCC(=O)O.CC(=O)O.O.O.O.O.O.O.[Fe]
InChIInChI=1S/2C2H4O2.Fe.6H2O/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);;6*1H2
InChIKeyANHDPZJMGYZUJL-UHFFFAOYSA-N
XLogP-4.77
TPSA263.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 5-4.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 163997764
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CID 174991979
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CID 172997379
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CID 178069783
acetic acid;chromium;tetrahydrate
CID 173392510
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;terbium;dihydrate
CID 133188352
acetic acid;zinc;trihydrate
CID 173017451
CID 173007307
CID 173007307
acetic acid;iron;propan-2-one
CID 174901322
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;copper;dihydrate
CID 172826856

Frequently Asked Questions

What is the IUPAC name of acetic acid;iron;hexahydrate?
The IUPAC name of acetic acid;iron;hexahydrate (CID 171714614) is acetic acid;iron;hexahydrate.
What is the SMILES notation for acetic acid;iron;hexahydrate?
The canonical SMILES for acetic acid;iron;hexahydrate is CC(=O)O.CC(=O)O.O.O.O.O.O.O.[Fe].
What is the InChIKey of acetic acid;iron;hexahydrate?
The InChIKey is ANHDPZJMGYZUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.Fe.6H2O/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);;6*1H2.
What are the key properties of acetic acid;iron;hexahydrate?
acetic acid;iron;hexahydrate has a molecular weight of 284.04 g/mol, XLogP of -4.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;iron;hexahydrate is sourced from PubChem (CID 171714614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).