bicyclo[2.2.1]hept-1-ene

• ChemBase ID: 128656
• Molecular Formular: C7H10
• Molecular Mass: 94.1543
• Monoisotopic Mass: 94.07825032
• SMILES: C1C2=CCC1CC2
• Canonical SMILES: C1CC2=CCC1C2
• InChI: InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1,7H,2-5H2
• InChIKey: VGUXWSJVGWCTEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bicyclo[2.2.1]hept-1-ene
• IUPAC Traditional name: norbornene
• Synonyms: Norbornylene; Norcamphene; Norbornene

Database IDs

• CAS Number: 498-66-8
• EC Number: 207-866-0
• PubChem SID: 162222963
• PubChem CID: 13129031; 10352
• Chemspider ID: 9925
• Wikipedia Title: Norbornene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9275762
• LogD (pH = 7.4): 1.9275762
• Log P: 1.9275762
• Molar Refractivity: 31.15 cm^3
• Polarizability: 11.953935 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: White solid
• Melting Point: 42 - 46°C
• Boiling Point: 96°C
• Flash Point: -15 °C

Safety Information

• Safety Statements: R
• NFPA704:
  

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