2-(λ5,-diazynylidene)-1,2-dihydronaphthalen-1-one

• ChemBase ID: 126953
• Molecular Formular: C10H6N2O
• Molecular Mass: 170.16744
• Monoisotopic Mass: 170.04801282
• SMILES: O=C1C(=[N+]=[N-])C=Cc2c1cccc2
• Canonical SMILES: [N-]=[N+]=C1C=Cc2c(C1=O)cccc2
• InChI: InChI=1S/C10H6N2O/c11-12-9-6-5-7-3-1-2-4-8(7)10(9)13/h1-6H
• InChIKey: URQUNWYOBNUYJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(λ^5,-diazynylidene)-1,2-dihydronaphthalen-1-one
• IUPAC Traditional name: 2-(λ^5,-diazynylidene)naphthalen-1-one
• Synonyms: 1,2-Naphthoquinone diazide; Diazonaphthoquinone

Database IDs

• CAS Number: 879-15-2
• PubChem SID: 162221279
• PubChem CID: 9815339
• Wikipedia Title: Diazonaphthoquinone

CALCULATED PROPERTIES

• Acid pKa: 8.728125
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6978992
• LogD (pH = 7.4): 0.6934348
• Log P: 0.6979585
• Molar Refractivity: 48.865 cm^3
• Polarizability: 18.131044 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true