indeno[2,1-b]chromene-6-carbaldehyde

• ChemBase ID: 83655
• Molecular Formular: C17H10O2
• Molecular Mass: 246.2601
• Monoisotopic Mass: 246.06807956
• SMILES: o1c2c(c3c(cccc3)c2cc2c1cccc2)C=O
• Canonical SMILES: O=Cc1c2ccccc2c2c1oc1ccccc1c2
• InChI: InChI=1S/C17H10O2/c18-10-15-13-7-3-2-6-12(13)14-9-11-5-1-4-8-16(11)19-17(14)15/h1-10H
• InChIKey: IZRZXVDMBPQFJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: indeno[2,1-b]chromene-6-carbaldehyde
• IUPAC Traditional name: indeno[2,1-b]chromene-6-carbaldehyde
• Synonyms: Indeno[2,1-b]chromene-6-carboxaldehyde; Benz[b]indeno[1,2-e]pyran-6-carboxaldehyde; indeno[2,1-b]chromene-6-carboxaldehyde; 苯并[b]茚并[1,2-e]吡喃-6-甲醛

Database IDs

• CAS Number: 75293-82-2
• MDL Number: MFCD00126609
• PubChem SID: 162070772
• PubChem CID: 406784

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8532262
• LogD (pH = 7.4): 3.8532262
• Log P: 3.8532262
• Molar Refractivity: 74.261 cm^3
• Polarizability: 31.877703 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%