6-amino-4,7-dimethyl-2H-chromen-2-one

• ChemBase ID: 306614
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c12c(c(cc(=O)o1)C)cc(c(c2)C)N
• Canonical SMILES: O=c1cc(C)c2c(o1)cc(c(c2)N)C
• InChI: InChI=1S/C11H11NO2/c1-6-4-11(13)14-10-3-7(2)9(12)5-8(6)10/h3-5H,12H2,1-2H3
• InChIKey: LVQSDRMNBNQREC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-4,7-dimethyl-2H-chromen-2-one
• IUPAC Traditional name: 6-amino-4,7-dimethylchromen-2-one
• Synonyms: 6-amino-4,7-dimethyl-2H-chromen-2-one

Database IDs

• CAS Number: 29001-25-0
• MDL Number: MFCD02059512

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.762381
• LogD (pH = 7.4): 1.7671881
• Log P: 1.7672497
• Molar Refractivity: 55.5722 cm^3
• Polarizability: 20.44061 Å^3
• Polar Surface Area: 52.32 Å^2