(13C)benzaldehyde

C7H6O — CID 10877067

IUPAC(13C)benzaldehyde
SMILESO=[13CH]c1ccccc1
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1
InChIKeyHUMNYLRZRPPJDN-PTQBSOBMSA-N
MW107.12 g/mol
LogP1.50
Rot. Bonds1

About (13C)benzaldehyde

(13C)benzaldehyde (PubChem CID 10877067) has the molecular formula C7H6O and a molecular weight of 107.12 g/mol. Its IUPAC name is (13C)benzaldehyde.

Molecular Properties

Compound Name(13C)benzaldehyde
PubChem CID10877067
Molecular FormulaC7H6O
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name(13C)benzaldehyde
SMILESO=[13CH]c1ccccc1
InChIInChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1
InChIKeyHUMNYLRZRPPJDN-PTQBSOBMSA-N
XLogP1.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (13C)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (13C)benzaldehyde?
The IUPAC name of (13C)benzaldehyde (CID 10877067) is (13C)benzaldehyde.
What is the SMILES notation for (13C)benzaldehyde?
The canonical SMILES for (13C)benzaldehyde is O=[13CH]c1ccccc1.
What is the InChIKey of (13C)benzaldehyde?
The InChIKey is HUMNYLRZRPPJDN-PTQBSOBMSA-N. The full InChI is InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i6+1.
What are the key properties of (13C)benzaldehyde?
(13C)benzaldehyde has a molecular weight of 107.12 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (13C)benzaldehyde is sourced from PubChem (CID 10877067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).