vanadium(2+) ion bis(2H-inden-2-ide)

• ChemBase ID: 139136
• Molecular Formular: C18H14V
• Molecular Mass: 281.24526
• Monoisotopic Mass: 281.05350995
• SMILES: c1cc2=C[CH-]C=c2cc1.c1cc2=C[CH-]C=c2cc1.[V+2]
• Canonical SMILES: [CH-]1C=c2c(=C1)cccc2.[CH-]1C=c2c(=C1)cccc2.[V+2]
• InChI: InChI=1S/2C9H7.V/c2*1-2-5-9-7-3-6-8(9)4-1;/h2*1-7H;/q2*-1;+2
• InChIKey: FPTUCIREEJZOBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: vanadium(2+) ion bis(2H-inden-2-ide)
• IUPAC Traditional name: vanadium(2+) ion bis(2H-inden-2-ide)
• Synonyms: Bis(indenyl)vanadium(II); 二(茚基)钒(II)

Database IDs

• CAS Number: 101834-69-9
• MDL Number: MFCD03701565
• PubChem SID: 24880320; 162233386
• PubChem CID: 71310217

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2931
• LogD (pH = 7.4): 2.2931
• Log P: 3.2502
• Molar Refractivity: 38.1652 cm^3
• Polarizability: 16.447489 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 18.711124

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 67 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Linear Formula: (C9H7)2V