sodium;butanedioic acid;hydride;iron

C4H7FeNaO4 — CID 173304011

IUPACsodium;butanedioic acid;hydride;iron
SMILESO=C(O)CCC(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C4H6O4.Fe.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;;+1;-1
InChIKeyHMFVAXGWTQVNSU-UHFFFAOYSA-N
MW197.93 g/mol
LogP-2.95
Rot. Bonds3

About sodium;butanedioic acid;hydride;iron

sodium;butanedioic acid;hydride;iron (PubChem CID 173304011) has the molecular formula C4H7FeNaO4 and a molecular weight of 197.93 g/mol. Its IUPAC name is sodium;butanedioic acid;hydride;iron.

Molecular Properties

Compound Namesodium;butanedioic acid;hydride;iron
PubChem CID173304011
Molecular FormulaC4H7FeNaO4
Molecular Weight197.93 g/mol
Exact Mass197.96
IUPAC Namesodium;butanedioic acid;hydride;iron
SMILESO=C(O)CCC(=O)O.[Fe].[H-].[Na+]
InChIInChI=1S/C4H6O4.Fe.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;;+1;-1
InChIKeyHMFVAXGWTQVNSU-UHFFFAOYSA-N
XLogP-2.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.93
LogP ≤ 5-2.95
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

sodium;butanedioic acid;hydride;trihydrate
CID 173259329
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);carbonic acid
CID 159577506
azane;butanedioic acid
CID 87070561
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
disodium;henicosanedioic acid;hydride
CID 174862400

Frequently Asked Questions

What is the IUPAC name of sodium;butanedioic acid;hydride;iron?
The IUPAC name of sodium;butanedioic acid;hydride;iron (CID 173304011) is sodium;butanedioic acid;hydride;iron.
What is the SMILES notation for sodium;butanedioic acid;hydride;iron?
The canonical SMILES for sodium;butanedioic acid;hydride;iron is O=C(O)CCC(=O)O.[Fe].[H-].[Na+].
What is the InChIKey of sodium;butanedioic acid;hydride;iron?
The InChIKey is HMFVAXGWTQVNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.Fe.Na.H/c5-3(6)1-2-4(7)8;;;/h1-2H2,(H,5,6)(H,7,8);;;/q;;+1;-1.
What are the key properties of sodium;butanedioic acid;hydride;iron?
sodium;butanedioic acid;hydride;iron has a molecular weight of 197.93 g/mol, XLogP of -2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;butanedioic acid;hydride;iron is sourced from PubChem (CID 173304011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).