10H-chromeno[3,2-b]pyridin-10-one

• ChemBase ID: 295228
• Molecular Formular: C12H7NO2
• Molecular Mass: 197.18948
• Monoisotopic Mass: 197.04767847
• SMILES: c1ccc2c(c1)c(=O)c1c(o2)cccn1
• Canonical SMILES: O=c1c2ccccc2oc2c1nccc2
• InChI: InChI=1S/C12H7NO2/c14-12-8-4-1-2-5-9(8)15-10-6-3-7-13-11(10)12/h1-7H
• InChIKey: YAUODDQCNOBEDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10H-chromeno[3,2-b]pyridin-10-one
• IUPAC Traditional name: chromeno[3,2-b]pyridin-10-one
• Synonyms: 1-Azaxanthone; 1-氮杂呫吨酮

Database IDs

• CAS Number: 6537-46-8
• EC Number: 000-000-0
• MDL Number: MFCD00052253
• Beilstein Number: 8657
• PubChem SID: 180680759
• PubChem CID: 7566837

CALCULATED PROPERTIES

• Log P: 2.127818
• Molar Refractivity: 54.2874 cm^3
• Polarizability: 21.086761 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1275868
• LogD (pH = 7.4): 2.1278152

PROPERTIES

Physical Property

• Melting Point: 180-182°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%