3-formyl-N,N-dimethylbenzamide

• ChemBase ID: 244067
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C(=O)(c1cc(C=O)ccc1)N(C)C
• Canonical SMILES: O=Cc1cccc(c1)C(=O)N(C)C
• InChI: InChI=1S/C10H11NO2/c1-11(2)10(13)9-5-3-4-8(6-9)7-12/h3-7H,1-2H3
• InChIKey: MYTDKUFZGNDHRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-formyl-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-formyl-N,N-dimethylbenzamide
• Synonyms: 3-formyl-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD18381833
• PubChem SID: 164299977
• PubChem CID: 182770

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.9837404
• LogD (pH = 7.4): 0.98374057
• Log P: 0.98374057
• Molar Refractivity: 51.5138 cm^3
• Polarizability: 18.739056 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.341

Product Information

• Purity: 95%