sodium;hydride;4-methylbenzaldehyde

C8H9NaO — CID 173013137

IUPACsodium;hydride;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.[H-].[Na+]
InChIInChI=1S/C8H8O.Na.H/c1-7-2-4-8(6-9)5-3-7;;/h2-6H,1H3;;/q;+1;-1
InChIKeyUDAJDTQGBZRQTA-UHFFFAOYSA-N
MW144.15 g/mol
LogP-1.08
Rot. Bonds1

About sodium;hydride;4-methylbenzaldehyde

sodium;hydride;4-methylbenzaldehyde (PubChem CID 173013137) has the molecular formula C8H9NaO and a molecular weight of 144.15 g/mol. Its IUPAC name is sodium;hydride;4-methylbenzaldehyde.

Molecular Properties

Compound Namesodium;hydride;4-methylbenzaldehyde
PubChem CID173013137
Molecular FormulaC8H9NaO
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Namesodium;hydride;4-methylbenzaldehyde
SMILESCc1ccc(C=O)cc1.[H-].[Na+]
InChIInChI=1S/C8H8O.Na.H/c1-7-2-4-8(6-9)5-3-7;;/h2-6H,1H3;;/q;+1;-1
InChIKeyUDAJDTQGBZRQTA-UHFFFAOYSA-N
XLogP-1.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-methylbenzaldehyde?
The IUPAC name of sodium;hydride;4-methylbenzaldehyde (CID 173013137) is sodium;hydride;4-methylbenzaldehyde.
What is the SMILES notation for sodium;hydride;4-methylbenzaldehyde?
The canonical SMILES for sodium;hydride;4-methylbenzaldehyde is Cc1ccc(C=O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-methylbenzaldehyde?
The InChIKey is UDAJDTQGBZRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.Na.H/c1-7-2-4-8(6-9)5-3-7;;/h2-6H,1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;4-methylbenzaldehyde?
sodium;hydride;4-methylbenzaldehyde has a molecular weight of 144.15 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-methylbenzaldehyde is sourced from PubChem (CID 173013137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).