sodium;benzaldehyde;formaldehyde;hydride

C8H9NaO2 — CID 173317417

IUPACsodium;benzaldehyde;formaldehyde;hydride
SMILESC=O.O=Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H6O.CH2O.Na.H/c8-6-7-4-2-1-3-5-7;1-2;;/h1-6H;1H2;;/q;;+1;-1
InChIKeyUQKCWCSDABFLNY-UHFFFAOYSA-N
MW160.15 g/mol
LogP-1.57
Rot. Bonds1

About sodium;benzaldehyde;formaldehyde;hydride

sodium;benzaldehyde;formaldehyde;hydride (PubChem CID 173317417) has the molecular formula C8H9NaO2 and a molecular weight of 160.15 g/mol. Its IUPAC name is sodium;benzaldehyde;formaldehyde;hydride.

Molecular Properties

Compound Namesodium;benzaldehyde;formaldehyde;hydride
PubChem CID173317417
Molecular FormulaC8H9NaO2
Molecular Weight160.15 g/mol
Exact Mass160.05
IUPAC Namesodium;benzaldehyde;formaldehyde;hydride
SMILESC=O.O=Cc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H6O.CH2O.Na.H/c8-6-7-4-2-1-3-5-7;1-2;;/h1-6H;1H2;;/q;;+1;-1
InChIKeyUQKCWCSDABFLNY-UHFFFAOYSA-N
XLogP-1.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;ethene
CID 22005957
benzaldehyde;hydrate
CID 86741597
benzaldehyde;ethane
CID 54495732
CID 22667463
CID 22667463
benzaldehyde;methanethiol
CID 142053607
benzaldehyde;formamide
CID 87258384
benzene;terephthalaldehyde
CID 163498156
benzaldehyde;ethane;methanol
CID 143448374
benzaldehyde;carbonic acid;hydrate
CID 173060917
benzaldehyde;naphthalene;hydroiodide
CID 174808118
benzaldehyde;N-ethenylethenamine
CID 18330714
benzaldehyde;bis(diiminoazanium);hydrobromide
CID 175371128

Frequently Asked Questions

What is the IUPAC name of sodium;benzaldehyde;formaldehyde;hydride?
The IUPAC name of sodium;benzaldehyde;formaldehyde;hydride (CID 173317417) is sodium;benzaldehyde;formaldehyde;hydride.
What is the SMILES notation for sodium;benzaldehyde;formaldehyde;hydride?
The canonical SMILES for sodium;benzaldehyde;formaldehyde;hydride is C=O.O=Cc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;benzaldehyde;formaldehyde;hydride?
The InChIKey is UQKCWCSDABFLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.CH2O.Na.H/c8-6-7-4-2-1-3-5-7;1-2;;/h1-6H;1H2;;/q;;+1;-1.
What are the key properties of sodium;benzaldehyde;formaldehyde;hydride?
sodium;benzaldehyde;formaldehyde;hydride has a molecular weight of 160.15 g/mol, XLogP of -1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzaldehyde;formaldehyde;hydride is sourced from PubChem (CID 173317417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).