2,3-dihydro-1H-indene-2-carbonitrile

• ChemBase ID: 269882
• Molecular Formular: C10H9N
• Molecular Mass: 143.18516
• Monoisotopic Mass: 143.07349929
• SMILES: N#CC1Cc2c(C1)cccc2
• Canonical SMILES: N#CC1Cc2c(C1)cccc2
• InChI: InChI=1S/C10H9N/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8H,5-6H2
• InChIKey: DNZFSDYPKGZHAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indene-2-carbonitrile
• IUPAC Traditional name: 2,3-dihydro-1H-indene-2-carbonitrile
• Synonyms: 2,3-dihydro-1H-indene-2-carbonitrile

Database IDs

• MDL Number: MFCD12067446
• PubChem SID: 164325792
• PubChem CID: 23239618

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2616248
• LogD (pH = 7.4): 2.2616248
• Log P: 2.2616248
• Molar Refractivity: 44.1584 cm^3
• Polarizability: 16.819942 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.588

Product Information

• Purity: 95%